# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2021

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_I
_database_code_depnum_ccdc_archive 'CCDC 2113258'
loop_
_audit_author_name
_audit_author_address
'Sergey s.n.volkov'
;KSC RAS
Russia
;
_audit_update_record             
;
2021-11-18 deposited with the CCDC.	2021-11-26 downloaded from the CCDC.
;
#=======================================================================

# 5. CHEMICAL DATA

_chemical_name_systematic        
; ?
;
_chemical_name_common            ?
_chemical_formula_moiety         ?
_chemical_formula_structural     ?
_chemical_formula_analytical     ?
_chemical_formula_iupac          ?
_chemical_formula_sum            'Ca48.6 Eu5.999 Ge1.198 O168 P40.799 Zn6'
_chemical_formula_weight         7290.3
_chemical_melting_point          ?
_chemical_compound_source        ?
_chemical_absolute_configuration ?

#=======================================================================

# 6. CRYSTAL DATA

_symmetry_cell_setting           trigonal
_symmetry_space_group_name_H-M   'R 3 c'
_symmetry_space_group_name_Hall  'R 3;-2"c'
_symmetry_Int_Tables_number      161

loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -y,x-y,z
3 -x+y,-x,z
4 -y,-x,z+1/2
5 -x+y,y,z+1/2
6 x,x-y,z+1/2
7 x+2/3,y+1/3,z+1/3
8 -y+2/3,x-y+1/3,z+1/3
9 -x+y+2/3,-x+1/3,z+1/3
10 -y+2/3,-x+1/3,z+5/6
11 -x+y+2/3,y+1/3,z+5/6
12 x+2/3,x-y+1/3,z+5/6
13 x+1/3,y+2/3,z+2/3
14 -y+1/3,x-y+2/3,z+2/3
15 -x+y+1/3,-x+2/3,z+2/3
16 -y+1/3,-x+2/3,z+1/6
17 -x+y+1/3,y+2/3,z+1/6
18 x+1/3,x-y+2/3,z+1/6

_cell_length_a                   10.374860(15)
_cell_length_b                   10.374860(15)
_cell_length_c                   37.152960(75)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     3463.318(9)

loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
_twin_individual_twin_matrix_11
_twin_individual_twin_matrix_12
_twin_individual_twin_matrix_13
_twin_individual_twin_matrix_21
_twin_individual_twin_matrix_22
_twin_individual_twin_matrix_23
_twin_individual_twin_matrix_31
_twin_individual_twin_matrix_32
_twin_individual_twin_matrix_33
? ? ? ? ? ? ? ? ? ? ?

_cell_formula_units_Z            1

_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?
_cell_measurement_temperature    300
_cell_special_details            
; ?
;

_exptl_crystal_density_diffrn    3.4954
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_F_000             ?

_exptl_absorpt_coefficient_mu    42.329
_exptl_crystal_description       ?
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_crystal_size_rad          ?
_exptl_crystal_colour            ?
_exptl_absorpt_correction_type   ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
? ? ? ?

#=======================================================================

# 7. EXPERIMENTAL DATA

_exptl_special_details           ?

_diffrn_ambient_temperature      300
_diffrn_source                   ?
_diffrn_source_power             ?
_diffrn_source_voltage           ?
_diffrn_source_current           ?
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.540598
_diffrn_radiation_monochromator  ?
_diffrn_measurement_device       'Rigaku Smartlab SE '
_diffrn_measurement_device_type  ?
_diffrn_detector                 ?
_diffrn_detector_type            ?

_pd_meas_scan_method             ?
_pd_meas_special_details         
; ?
;
_pd_meas_number_of_points        5251
_pd_meas_2theta_range_min        5.000
_pd_meas_2theta_range_max        80.000
_pd_meas_2theta_range_inc        0.02

_diffrn_radiation_probe          X-ray


#=======================================================================

# 8. REFINEMENT DATA

_pd_proc_ls_special_details      
; ?
;
_pd_proc_ls_profile_function     Pseudo-Voigt
_pd_proc_ls_background_function  '31 Legendre polynoms'
_pd_proc_ls_pref_orient_corr     ?
_pd_proc_ls_prof_R_factor        0.061
_pd_proc_ls_prof_wR_factor       0.066
_pd_proc_ls_prof_wR_expected     0.0250

_refine_special_details          
; ?
;

_refine_ls_R_factor_gt           0.0501
_refine_ls_wR_factor_gt          0.0664
_refine_ls_R_factor_all          ?
_refine_ls_wR_factor_all         ?
_refine_ls_goodness_of_fit_all   2.02
_refine_ls_restrained_S_gt       ?
_refine_ls_restrained_S_all      ?
_refine_ls_number_parameters     79
_refine_ls_number_restraints     ?
_refine_ls_number_constraints    ?
_refine_ls_weighting_scheme      sigma
_refine_ls_weighting_details     ?
_refine_ls_hydrogen_treatment    ?

_refine_ls_shift/su_max          ?
_refine_ls_shift/su_mean         ?
_refine_diff_density_max         ?
_refine_diff_density_min         ?
_refine_ls_extinction_method     ?
_refine_ls_extinction_coef       ?
_refine_ls_extinction_expression ?
_refine_ls_abs_structure_details ?
_refine_ls_abs_structure_Flack   ?
_refine_ls_abs_structure_Rogers  ?

loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Ca 0.2262 0.3064 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
Eu -0.1578 3.6682 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
Ge 0.1547 1.8001 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
O 0.0106 0.0060 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
P 0.1023 0.0942 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
Zn 0.2839 1.4301 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  ?
_computing_molecular_graphics    ?
_computing_publication_material  ?

loop_
_restr_distance_atom_site_label_1
_restr_distance_site_symmetry_1
_restr_distance_atom_site_label_2
_restr_distance_site_symmetry_2
_restr_distance_target
_restr_distance_target_weight_param
? ? ? ? ? ?

loop_
_restr_angle_atom_site_label_1
_restr_angle_site_symmetry_1
_restr_angle_atom_site_label_2
_restr_angle_site_symmetry_2
_restr_angle_atom_site_label_3
_restr_angle_site_symmetry_3
_restr_angle_target
_restr_angle_target_weight_param
? ? ? ? ? ? ? ?

loop_
_restr_torsion_atom_site_label_1
_restr_torsion_site_symmetry_1
_restr_torsion_atom_site_label_2
_restr_torsion_site_symmetry_2
_restr_torsion_atom_site_label_3
_restr_torsion_site_symmetry_3
_restr_torsion_atom_site_label_4
_restr_torsion_site_symmetry_4
_restr_torsion_angle_target
_restr_torsion_weight_param
? ? ? ? ? ? ? ? ? ?

loop_
_restr_equal_distance_atom_site_label_1
_restr_equal_distance_site_symmetry_1
_restr_equal_distance_atom_site_label_2
_restr_equal_distance_site_symmetry_2
_restr_equal_distance_class_class_id
_restr_equal_distance_class_target_weight_param
? ? ? ? ? ?

loop_
_restr_equal_angle_atom_site_label_1
_restr_equal_angle_site_symmetry_1
_restr_equal_angle_atom_site_label_2
_restr_equal_angle_site_symmetry_2
_restr_equal_angle_atom_site_label_3
_restr_equal_angle_site_symmetry_3
_restr_equal_angle_class_class_id
_restr_equal_angle_class_target_weight_param
? ? ? ? ? ? ? ?

loop_
_restr_equal_torsion_atom_site_label_1
_restr_equal_torsion_site_symmetry_1
_restr_equal_torsion_atom_site_label_2
_restr_equal_torsion_site_symmetry_2
_restr_equal_torsion_atom_site_label_3
_restr_equal_torsion_site_symmetry_3
_restr_equal_torsion_atom_site_label_4
_restr_equal_torsion_site_symmetry_4
_restr_equal_torsion_class_class_id
_restr_equal_torsion_class_target_weight_param
? ? ? ? ? ? ? ? ? ?


#=======================================================================

# 9. ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_adp_type
_atom_site_U_iso_or_equiv
_atom_site_site_symmetry_multiplicity
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ca1 Ca 0.72398(17) 0.8724(5) 0.17150(8) Uiso 0.0113(6) 18 0.8274(14) d . . .
Eu1 Eu 0.7105(3) 0.8267(4) 0.17142(12) Uiso 0.0113(6) 18 0.17260(7) d . . .
Ca2 Ca 0.62316(16) 0.8267(4) -0.02950(7) Uiso 0.0113(6) 18 0.9000(13) d . . .
Eu2 Eu 0.6029(5) 0.7950(15) -0.02995(19) Uiso 0.0113(6) 18 0.100000(15) d . . .
Ca3 Ca 0.72245(16) 0.8570(5) 0.06571(5) Uiso 0.0113(6) 18 0.9393(12) d . . .
Eu3 Eu 0.7082(7) 0.8151(9) 0.0668(3) Uiso 0.0113(6) 18 0.0607 d . . .
Ca4 Ca 0 0 -0.0644(10) Uiso 0.0113(6) 6 0.1 d . . .
Zn1 Zn 0 0 0.73729(10) Uiso 0.0113(6) 6 1 d . . .
P1 P 0 0 0.00647(9) Uiso 0.016(3) 6 1 d . . .
P2 P 0.69006(16) 0.8580(4) 0.87029(6) Uiso 0.016(3) 18 1 d . . .
P3 P 0.66458(16) 0.8569(3) 0.76863(8) Uiso 0.016(3) 18 0.9333 d . . .
Ge1 Ge 0.6511(16) 0.9659(16) 0.7789(9) Uiso 0.016(3) 18 0.0667 d . . .
O1 O 0.7359(3) 0.9063(5) 0.90746(9) Uiso 0.011(3) 18 1 d . . .
O2 O 0.7531(3) 0.7625(5) 0.85610(14) Uiso 0.011(3) 18 1 d . . .
O3 O 0.7464(3) 1.0006(4) 0.85367(14) Uiso 0.011(3) 18 1 d . . .
O4 O 0.5248(3) 0.7629(13) 0.86391(10) Uiso 0.011(3) 18 1 d . . .
O5 O 0.6249(3) 0.9827(5) 0.7865(3) Uiso 0.011(3) 18 1 d . . .
O6 O 0.5909(3) 0.6880(5) 0.78359(13) Uiso 0.011(3) 18 1 d . . .
O7 O 0.8231(3) 0.9111(8) 0.77609(12) Uiso 0.011(3) 18 1 d . . .
O8 O 0.6194(3) 0.8460(5) 0.72829(11) Uiso 0.011(3) 18 1 d . . .
O9 O 0.0105(4) 0.8697(3) -0.01948(18) Uiso 0.011(3) 18 1 d . . .
O10 O 0 0 0.04786(18) Uiso 0.011(3) 6 1 d . . .

loop_
_atom_site_aniso_label
_atom_site_aniso_type_symbol
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
? ? ? ? ? ? ? ?

loop_
_jana_atom_site_ADP_C_label
_jana_atom_site_ADP_C_type_symbol
_jana_atom_site_ADP_C_111
_jana_atom_site_ADP_C_112
_jana_atom_site_ADP_C_113
_jana_atom_site_ADP_C_122
_jana_atom_site_ADP_C_123
_jana_atom_site_ADP_C_133
_jana_atom_site_ADP_C_222
_jana_atom_site_ADP_C_223
_jana_atom_site_ADP_C_233
_jana_atom_site_ADP_C_333
? ? ? ? ? ? ? ? ? ? ? ?

loop_
_jana_atom_site_ADP_D_label
_jana_atom_site_ADP_D_type_symbol
_jana_atom_site_ADP_D_1111
_jana_atom_site_ADP_D_1112
_jana_atom_site_ADP_D_1113
_jana_atom_site_ADP_D_1122
_jana_atom_site_ADP_D_1123
_jana_atom_site_ADP_D_1133
_jana_atom_site_ADP_D_1222
_jana_atom_site_ADP_D_1223
_jana_atom_site_ADP_D_1233
_jana_atom_site_ADP_D_1333
_jana_atom_site_ADP_D_2222
_jana_atom_site_ADP_D_2223
_jana_atom_site_ADP_D_2233
_jana_atom_site_ADP_D_2333
_jana_atom_site_ADP_D_3333
? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ?

loop_
_jana_atom_site_ADP_E_label
_jana_atom_site_ADP_E_type_symbol
_jana_atom_site_ADP_E_11111
_jana_atom_site_ADP_E_11112
_jana_atom_site_ADP_E_11113
_jana_atom_site_ADP_E_11122
_jana_atom_site_ADP_E_11123
_jana_atom_site_ADP_E_11133
_jana_atom_site_ADP_E_11222
_jana_atom_site_ADP_E_11223
_jana_atom_site_ADP_E_11233
_jana_atom_site_ADP_E_11333
_jana_atom_site_ADP_E_12222
_jana_atom_site_ADP_E_12223
_jana_atom_site_ADP_E_12233
_jana_atom_site_ADP_E_12333
_jana_atom_site_ADP_E_13333
_jana_atom_site_ADP_E_22222
_jana_atom_site_ADP_E_22223
_jana_atom_site_ADP_E_22233
_jana_atom_site_ADP_E_22333
_jana_atom_site_ADP_E_23333
_jana_atom_site_ADP_E_33333
? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ?

loop_
_jana_atom_site_ADP_F_label
_jana_atom_site_ADP_F_type_symbol
_jana_atom_site_ADP_F_111111
_jana_atom_site_ADP_F_111112
_jana_atom_site_ADP_F_111113
_jana_atom_site_ADP_F_111122
_jana_atom_site_ADP_F_111123
_jana_atom_site_ADP_F_111133
_jana_atom_site_ADP_F_111222
_jana_atom_site_ADP_F_111223
_jana_atom_site_ADP_F_111233
_jana_atom_site_ADP_F_111333
_jana_atom_site_ADP_F_112222
_jana_atom_site_ADP_F_112223
_jana_atom_site_ADP_F_112233
_jana_atom_site_ADP_F_112333
_jana_atom_site_ADP_F_113333
_jana_atom_site_ADP_F_122222
_jana_atom_site_ADP_F_122223
_jana_atom_site_ADP_F_122233
_jana_atom_site_ADP_F_122333
_jana_atom_site_ADP_F_123333
_jana_atom_site_ADP_F_133333
_jana_atom_site_ADP_F_222222
_jana_atom_site_ADP_F_222223
_jana_atom_site_ADP_F_222233
_jana_atom_site_ADP_F_222333
_jana_atom_site_ADP_F_223333
_jana_atom_site_ADP_F_233333
_jana_atom_site_ADP_F_333333
? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ?


#=======================================================================

# 10. MOLECULAR GEOMETRY


loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Ca1 Ca1 . 2_765 4.300(7) ?
Ca1 Ca1 . 3_675 4.300(4) ?
Ca1 Eu1 . . 0.422(6) ?
Ca1 Eu1 . 2_765 4.604(6) ?
Ca1 Eu1 . 3_675 4.204(4) ?
Ca1 Ca2 . 8_665 5.435(4) ?
Ca1 Ca2 . 16_665 3.723(6) ?
Ca1 Ca2 . 17_545 3.637(5) ?
Ca1 Ca2 . 18_565 5.498(6) ?
Ca1 Eu2 . 8_665 5.465(9) ?
Ca1 Eu2 . 9_565 5.495(10) ?
Ca1 Eu2 . 16_665 3.626(14) ?
Ca1 Eu2 . 17_545 3.911(14) ?
Ca1 Eu2 . 18_565 5.638(16) ?
Ca1 Ca3 . . 3.933(3) ?
Ca1 Ca3 . 16_665 3.766(6) ?
Ca1 Ca3 . 17_545 3.957(5) ?
Ca1 Eu3 . . 3.925(13) ?
Ca1 Eu3 . 16_665 3.544(12) ?
Ca1 Eu3 . 17_545 4.298(10) ?
Ca1 Ca4 . 16_555 4.35(2) ?
Ca1 Zn1 . 4_664 3.484(3) ?
Ca1 P1 . 16_555 3.5121(15) ?
Ca1 P2 . 8_664 2.960(6) ?
Ca1 P2 . 9_564 3.335(6) ?
Ca1 P3 . 8_664 3.571(5) ?
Ca1 P3 . 9_564 4.008(5) ?
Ca1 P3 . 6_564 3.666(4) ?
Ca1 Ge1 . 8_664 2.75(3) ?
Ca1 Ge1 . 6_564 4.34(3) ?
Ca1 O2 . 9_564 2.894(6) ?
Ca1 O3 . 8_664 2.566(8) ?
Ca1 O4 . 8_664 2.329(10) ?
Ca1 O4 . 9_564 2.473(13) ?
Ca1 O5 . 8_664 2.332(10) ?
Ca1 O6 . 9_564 2.580(6) ?
Ca1 O8 . 6_564 2.360(5) ?
Ca1 O9 . 16_655 2.662(4) ?
Eu1 Eu1 . 2_765 4.534(6) ?
Eu1 Eu1 . 3_675 4.534(4) ?
Eu1 Ca2 . 8_665 5.628(5) ?
Eu1 Ca2 . 9_565 5.514(5) ?
Eu1 Ca2 . 16_665 3.989(6) ?
Eu1 Ca2 . 17_545 3.255(5) ?
Eu1 Eu2 . 8_665 5.659(10) ?
Eu1 Eu2 . 9_565 5.379(10) ?
Eu1 Eu2 . 16_665 3.911(14) ?
Eu1 Eu2 . 17_545 3.524(13) ?
Eu1 Eu2 . 18_555 5.390(16) ?
Eu1 Ca3 . . 3.937(5) ?
Eu1 Ca3 . 16_665 3.935(6) ?
Eu1 Ca3 . 17_545 3.665(5) ?
Eu1 Eu3 . . 3.888(13) ?
Eu1 Eu3 . 16_665 3.727(12) ?
Eu1 Eu3 . 17_545 3.994(10) ?
Eu1 Ca4 . 16_555 4.26(2) ?
Eu1 Zn1 . 4_664 3.584(4) ?
Eu1 P1 . 16_555 3.402(2) ?
Eu1 P2 . 8_664 3.352(6) ?
Eu1 P2 . 9_564 3.027(6) ?
Eu1 P3 . 8_664 3.872(5) ?
Eu1 P3 . 9_564 3.774(5) ?
Eu1 P3 . 6_564 3.635(5) ?
Eu1 Ge1 . 8_664 3.00(3) ?
Eu1 Ge1 . 9_564 4.38(3) ?
Eu1 Ge1 . 6_564 4.19(3) ?
Eu1 O2 . 9_564 2.490(6) ?
Eu1 O3 . 8_664 2.936(7) ?
Eu1 O4 . 8_664 2.668(10) ?
Eu1 O4 . 9_564 2.323(13) ?
Eu1 O5 . 8_664 2.560(10) ?
Eu1 O6 . 9_564 2.377(7) ?
Eu1 O8 . 6_564 2.267(6) ?
Eu1 O9 . 16_655 2.443(4) ?
Ca2 Ca2 . 2_665 4.519(5) ?
Ca2 Ca2 . 3_565 4.519(3) ?
Ca2 Eu2 . . 0.289(12) ?
Ca2 Eu2 . 2_665 4.244(18) ?
Ca2 Eu2 . 3_565 4.464(9) ?
Ca2 Ca3 . . 3.654(3) ?
Ca2 Ca3 . 10_664 4.487(5) ?
Ca2 Ca3 . 11_554 4.210(5) ?
Ca2 Eu3 . . 3.702(12) ?
Ca2 Eu3 . 10_664 4.667(12) ?
Ca2 Eu3 . 11_554 3.898(11) ?
Ca2 Ca4 . 1_665 3.629(13) ?
Ca2 Zn1 . 16_554 3.594(3) ?
Ca2 P1 . 1_665 3.643(2) ?
Ca2 P2 . 1_554 3.771(3) ?
Ca2 P2 . 16_664 3.641(5) ?
Ca2 P2 . 17_544 3.681(5) ?
Ca2 P3 . 16_664 3.180(5) ?
Ca2 P3 . 17_544 3.072(5) ?
Ca2 Ge1 . 16_664 4.12(2) ?
Ca2 Ge1 . 17_544 2.35(2) ?
Ca2 O1 . 1_554 2.563(4) ?
Ca2 O2 . 16_664 2.317(6) ?
Ca2 O3 . 17_544 2.385(6) ?
Ca2 O5 . 17_544 2.364(8) ?
Ca2 O6 . 16_664 2.589(6) ?
Ca2 O7 . 16_664 2.409(8) ?
Ca2 O7 . 17_544 2.590(6) ?
Ca2 O9 . 3_565 2.202(4) ?
Eu2 Eu2 . 2_665 4.20(2) ?
Eu2 Eu2 . 3_565 4.196(12) ?
Eu2 Ca3 . . 3.713(7) ?
Eu2 Ca3 . 10_664 4.394(13) ?
Eu2 Ca3 . 11_554 4.425(12) ?
Eu2 Eu3 . . 3.733(14) ?
Eu2 Eu3 . 10_664 4.589(16) ?
Eu2 Eu3 . 11_554 4.102(15) ?
Eu2 Eu3 . 12_454 5.760(17) ?
Eu2 Ca4 . 1_665 3.792(13) ?
Eu2 Ca4 . 16_555 5.48(3) ?
Eu2 Zn1 . 16_554 3.450(7) ?
Eu2 P1 . 1_665 3.817(5) ?
Eu2 P2 . 1_554 3.794(7) ?
Eu2 P2 . 16_664 3.738(12) ?
Eu2 P2 . 17_544 3.493(12) ?
Eu2 P3 . 16_664 3.290(14) ?
Eu2 P3 . 17_544 2.825(14) ?
Eu2 Ge1 . 16_664 4.20(3) ?
Eu2 Ge1 . 17_544 2.16(3) ?
Eu2 O1 . 1_554 2.655(8) ?
Eu2 O2 . 16_664 2.423(12) ?
Eu2 O3 . 17_544 2.250(12) ?
Eu2 O5 . 17_544 2.212(16) ?
Eu2 O6 . 16_664 2.817(16) ?
Eu2 O7 . 16_664 2.396(13) ?
Eu2 O7 . 17_544 2.326(11) ?
Eu2 O9 . 3_565 2.434(7) ?
Ca3 Ca3 . 2_765 4.320(7) ?
Ca3 Ca3 . 3_675 4.320(4) ?
Ca3 Eu3 . . 0.386(10) ?
Ca3 Eu3 . 2_765 4.622(11) ?
Ca3 Eu3 . 3_675 4.274(7) ?
Ca3 Ca4 . 1_665 5.44(3) ?
Ca3 Ca4 . 16_555 3.751(13) ?
Ca3 P1 . 1_665 3.326(3) ?
Ca3 P2 . 16_664 3.527(6) ?
Ca3 P2 . 17_544 3.222(5) ?
Ca3 P3 . 8_664 2.940(6) ?
Ca3 P3 . 9_564 3.225(6) ?
Ca3 Ge1 . 8_664 2.49(3) ?
Ca3 Ge1 . 9_564 4.29(3) ?
Ca3 O1 . 17_544 2.692(5) ?
Ca3 O2 . 16_664 2.508(6) ?
Ca3 O3 . 17_544 2.434(5) ?
Ca3 O5 . 8_664 2.493(9) ?
Ca3 O6 . 9_564 2.393(6) ?
Ca3 O8 . 8_664 2.266(7) ?
Ca3 O8 . 9_564 2.828(7) ?
Ca3 O10 . 1_665 2.581(2) ?
Eu3 Eu3 . 2_765 4.595(13) ?
Eu3 Eu3 . 3_675 4.595(9) ?
Eu3 Ca4 . 1_665 5.55(3) ?
Eu3 Ca4 . 16_555 3.639(15) ?
Eu3 Zn1 . 7_554 4.799(10) ?
Eu3 P1 . 1_665 3.473(9) ?
Eu3 P2 . 16_664 3.732(11) ?
Eu3 P2 . 17_544 2.906(9) ?
Eu3 P3 . 8_664 3.269(10) ?
Eu3 P3 . 9_564 2.972(11) ?
Eu3 Ge1 . 8_664 2.73(3) ?
Eu3 Ge1 . 9_564 4.09(3) ?
Eu3 O1 . 17_544 2.357(8) ?
Eu3 O2 . 16_664 2.686(12) ?
Eu3 O3 . 17_544 2.232(11) ?
Eu3 O5 . 8_664 2.672(14) ?
Eu3 O6 . 9_564 2.191(13) ?
Eu3 O8 . 8_664 2.650(10) ?
Eu3 O8 . 9_564 2.615(12) ?
Eu3 O10 . 1_665 2.745(7) ?
Ca4 P1 . . 2.63(4) ?
Ca4 P2 . 1_444 3.70(2) ?
Ca4 P2 . 2_654 3.70(2) ?
Ca4 P2 . 3_564 3.70(2) ?
Ca4 Ge1 . 16_654 3.752(19) ?
Ca4 Ge1 . 17_434 3.752(15) ?
Ca4 Ge1 . 18_454 3.75(3) ?
Ca4 O1 . 1_444 2.623(14) ?
Ca4 O1 . 2_654 2.623(15) ?
Ca4 O1 . 3_564 2.623(14) ?
Ca4 O9 . 1_545 2.19(3) ?
Ca4 O9 . 2_665 2.19(3) ?
Ca4 O9 . 3_455 2.19(3) ?
Zn1 P2 . 10_554 3.443(2) ?
Zn1 P2 . 11_444 3.443(5) ?
Zn1 P2 . 12_454 3.443(2) ?
Zn1 P3 . 1_445 3.241(2) ?
Zn1 P3 . 2_655 3.241(4) ?
Zn1 P3 . 3_565 3.241(2) ?
Zn1 O4 . 10_554 2.274(4) ?
Zn1 O4 . 11_444 2.274(13) ?
Zn1 O4 . 12_454 2.274(4) ?
Zn1 O7 . 1_445 2.146(5) ?
Zn1 O7 . 2_655 2.146(8) ?
Zn1 O7 . 3_565 2.146(5) ?
P1 O9 . 1_545 1.708(5) ?
P1 O9 . 2_665 1.708(5) ?
P1 O9 . 3_455 1.708(6) ?
P1 O10 . . 1.538(8) ?
P2 O1 . . 1.465(4) ?
P2 O2 . . 1.528(6) ?
P2 O3 . . 1.430(5) ?
P2 O4 . . 1.509(4) ?
P3 Ge1 . . 1.27(2) ?
P3 O5 . . 1.688(7) ?
P3 O6 . . 1.621(5) ?
P3 O7 . . 1.474(4) ?
P3 O8 . . 1.557(5) ?
Ge1 O5 . . 0.48(3) ?
Ge1 O7 . . 2.13(2) ?
Ge1 O8 . . 2.19(3) ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
? ? ? ? ? ? ? ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
? ? ? ? ? ? ? ? ? ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_D
_geom_hbond_site_symmetry_H
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_publ_flag
? ? ? ? ? ? ? ? ? ? ?


#=======================================================================

# 11. STRUCTURE-FACTOR LIST

loop_
_refln_index_h
_refln_index_k
_refln_index_l
_refln_F_squared_calc
_refln_F_squared_meas
_refln_F_squared_sigma
_refln_observed_status
? ? ? ? ? ? ?

loop_
_twin_refln_datum_id
_twin_refln_individual_id
_twin_refln_index_h
_twin_refln_index_k
_twin_refln_index_l
_twin_refln_F_squared_calc
_twin_refln_F_squared_meas
_twin_refln_F_squared_sigma
_twin_refln_include_status
? ? ? ? ? ? ? ? ?

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_I_CCDC1
_database_code_depnum_ccdc_archive 'CCDC 2122837'
loop_
_audit_author_name
_audit_author_address
'Sergey s.n.volkov'
;KSC RAS
Russia
;
_audit_update_record             
;
2021-11-18 deposited with the CCDC.	2021-11-26 downloaded from the CCDC.
;
#=======================================================================

# 5. CHEMICAL DATA

_chemical_name_systematic        
; ?
;
_chemical_name_common            ?
_chemical_formula_moiety         ?
_chemical_formula_structural     ?
_chemical_formula_analytical     ?
_chemical_formula_iupac          ?
_chemical_formula_sum            'Ca49.799 Eu6.001 Ge3.6 O168 P38.4 Zn6'
_chemical_formula_weight         7438.7
_chemical_melting_point          ?
_chemical_compound_source        ?
_chemical_absolute_configuration ?

#=======================================================================

# 6. CRYSTAL DATA

_symmetry_cell_setting           trigonal
_symmetry_space_group_name_H-M   'R 3 c'
_symmetry_space_group_name_Hall  'R 3;-2"c'
_symmetry_Int_Tables_number      161

loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -y,x-y,z
3 -x+y,-x,z
4 -y,-x,z+1/2
5 -x+y,y,z+1/2
6 x,x-y,z+1/2
7 x+2/3,y+1/3,z+1/3
8 -y+2/3,x-y+1/3,z+1/3
9 -x+y+2/3,-x+1/3,z+1/3
10 -y+2/3,-x+1/3,z+5/6
11 -x+y+2/3,y+1/3,z+5/6
12 x+2/3,x-y+1/3,z+5/6
13 x+1/3,y+2/3,z+2/3
14 -y+1/3,x-y+2/3,z+2/3
15 -x+y+1/3,-x+2/3,z+2/3
16 -y+1/3,-x+2/3,z+1/6
17 -x+y+1/3,y+2/3,z+1/6
18 x+1/3,x-y+2/3,z+1/6

_cell_length_a                   10.428770(27)
_cell_length_b                   10.428770(27)
_cell_length_c                   37.34327(14)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     3517.321(9)

loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
_twin_individual_twin_matrix_11
_twin_individual_twin_matrix_12
_twin_individual_twin_matrix_13
_twin_individual_twin_matrix_21
_twin_individual_twin_matrix_22
_twin_individual_twin_matrix_23
_twin_individual_twin_matrix_31
_twin_individual_twin_matrix_32
_twin_individual_twin_matrix_33
? ? ? ? ? ? ? ? ? ? ?

_cell_formula_units_Z            1

_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?
_cell_measurement_temperature    300
_cell_special_details            
; ?
;

_exptl_crystal_density_diffrn    3.5118
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_F_000             ?

_exptl_absorpt_coefficient_mu    42.365
_exptl_crystal_description       ?
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_crystal_size_rad          ?
_exptl_crystal_colour            ?
_exptl_absorpt_correction_type   ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
? ? ? ?

#=======================================================================

# 7. EXPERIMENTAL DATA

_exptl_special_details           ?

_diffrn_ambient_temperature      300
_diffrn_source                   ?
_diffrn_source_power             ?
_diffrn_source_voltage           ?
_diffrn_source_current           ?
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.540598
_diffrn_radiation_monochromator  ?
_diffrn_measurement_device       'Rigaku Smartlab SE '
_diffrn_measurement_device_type  ?
_diffrn_detector                 ?
_diffrn_detector_type            ?

_pd_meas_scan_method             ?
_pd_meas_special_details         
; ?
;
_pd_meas_number_of_points        5251
_pd_meas_2theta_range_min        5.000
_pd_meas_2theta_range_max        80.000
_pd_meas_2theta_range_inc        0.02

_diffrn_radiation_probe          X-ray


#=======================================================================

# 8. REFINEMENT DATA

_pd_proc_ls_special_details      
; ?
;
_pd_proc_ls_profile_function     Pseudo-Voigt
_pd_proc_ls_background_function  '31 Legendre polynoms'
_pd_proc_ls_pref_orient_corr     ?
_pd_proc_ls_prof_R_factor        0.089
_pd_proc_ls_prof_wR_factor       0.083
_pd_proc_ls_prof_wR_expected     0.0250

_refine_special_details          
; ?
;

_refine_ls_R_factor_gt           ?
_refine_ls_wR_factor_gt          ?
_refine_ls_R_factor_all          ?
_refine_ls_wR_factor_all         ?
_refine_ls_goodness_of_fit_all   2.73
_refine_ls_restrained_S_gt       ?
_refine_ls_restrained_S_all      ?
_refine_ls_number_parameters     79
_refine_ls_number_restraints     ?
_refine_ls_number_constraints    ?
_refine_ls_weighting_scheme      sigma
_refine_ls_weighting_details     ?
_refine_ls_hydrogen_treatment    ?

_refine_ls_shift/su_max          ?
_refine_ls_shift/su_mean         ?
_refine_diff_density_max         ?
_refine_diff_density_min         ?
_refine_ls_extinction_method     ?
_refine_ls_extinction_coef       ?
_refine_ls_extinction_expression ?
_refine_ls_abs_structure_details ?
_refine_ls_abs_structure_Flack   ?
_refine_ls_abs_structure_Rogers  ?

loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Ca 0.2262 0.3064 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
Eu -0.1578 3.6682 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
Ge 0.1547 1.8001 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
O 0.0106 0.0060 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
P 0.1023 0.0942 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
Zn 0.2839 1.4301 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  ?
_computing_molecular_graphics    ?
_computing_publication_material  ?

loop_
_restr_distance_atom_site_label_1
_restr_distance_site_symmetry_1
_restr_distance_atom_site_label_2
_restr_distance_site_symmetry_2
_restr_distance_target
_restr_distance_target_weight_param
? ? ? ? ? ?

loop_
_restr_angle_atom_site_label_1
_restr_angle_site_symmetry_1
_restr_angle_atom_site_label_2
_restr_angle_site_symmetry_2
_restr_angle_atom_site_label_3
_restr_angle_site_symmetry_3
_restr_angle_target
_restr_angle_target_weight_param
? ? ? ? ? ? ? ?

loop_
_restr_torsion_atom_site_label_1
_restr_torsion_site_symmetry_1
_restr_torsion_atom_site_label_2
_restr_torsion_site_symmetry_2
_restr_torsion_atom_site_label_3
_restr_torsion_site_symmetry_3
_restr_torsion_atom_site_label_4
_restr_torsion_site_symmetry_4
_restr_torsion_angle_target
_restr_torsion_weight_param
? ? ? ? ? ? ? ? ? ?

loop_
_restr_equal_distance_atom_site_label_1
_restr_equal_distance_site_symmetry_1
_restr_equal_distance_atom_site_label_2
_restr_equal_distance_site_symmetry_2
_restr_equal_distance_class_class_id
_restr_equal_distance_class_target_weight_param
? ? ? ? ? ?

loop_
_restr_equal_angle_atom_site_label_1
_restr_equal_angle_site_symmetry_1
_restr_equal_angle_atom_site_label_2
_restr_equal_angle_site_symmetry_2
_restr_equal_angle_atom_site_label_3
_restr_equal_angle_site_symmetry_3
_restr_equal_angle_class_class_id
_restr_equal_angle_class_target_weight_param
? ? ? ? ? ? ? ?

loop_
_restr_equal_torsion_atom_site_label_1
_restr_equal_torsion_site_symmetry_1
_restr_equal_torsion_atom_site_label_2
_restr_equal_torsion_site_symmetry_2
_restr_equal_torsion_atom_site_label_3
_restr_equal_torsion_site_symmetry_3
_restr_equal_torsion_atom_site_label_4
_restr_equal_torsion_site_symmetry_4
_restr_equal_torsion_class_class_id
_restr_equal_torsion_class_target_weight_param
? ? ? ? ? ? ? ? ? ?


#=======================================================================

# 9. ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_adp_type
_atom_site_U_iso_or_equiv
_atom_site_site_symmetry_multiplicity
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ca1 Ca 0.7248(3) 0.8644(13) 0.17132(14) Uiso 0.0113(6) 18 0.8774(15) d . . .
Eu1 Eu 0.7191(6) 0.8281(10) 0.1681(3) Uiso 0.0113(6) 18 0.12260(5) d . . .
Ca2 Ca 0.6231(3) 0.8313(6) -0.02850(14) Uiso 0.0113(6) 18 0.8659(12) d . . .
Eu2 Eu 0.6338(8) 0.8041(17) -0.0291(3) Uiso 0.0113(6) 18 0.13410(2) d . . .
Ca3 Ca 0.7245(3) 0.8637(10) 0.06550(10) Uiso 0.0113(6) 18 0.9233(12) d . . .
Eu3 Eu 0.6998(11) 0.8127(13) 0.0776(3) Uiso 0.0113(6) 18 0.0767 d . . .
Ca4 Ca 0 0 -0.0644(10) Uiso 0.0113(6) 6 0.3001 d . . .
Zn1 Zn 0 0 0.73547(17) Uiso 0.0113(6) 6 1 d . . .
P1 P 0 0 0.00663(15) Uiso 0.016(3) 6 1 d . . .
P2 P 0.6889(3) 0.8546(6) 0.87258(11) Uiso 0.016(3) 18 1 d . . .
P3 P 0.6582(2) 0.8449(6) 0.77336(9) Uiso 0.016(3) 18 0.8 d . . .
Ge1 Ge 0.6341(11) 0.9315(10) 0.7558(4) Uiso 0.016(3) 18 0.2 d . . .
O1 O 0.7254(4) 0.8812(11) 0.90986(16) Uiso 0.011(3) 18 1 d . . .
O2 O 0.7501(5) 0.7553(7) 0.8615(3) Uiso 0.011(3) 18 1 d . . .
O3 O 0.7453(5) 1.0069(7) 0.8561(3) Uiso 0.011(3) 18 1 d . . .
O4 O 0.5347(5) 0.775(2) 0.86290(17) Uiso 0.011(3) 18 1 d . . .
O5 O 0.6102(2) 0.9718(3) 0.79184(14) Uiso 0.011(3) 18 1 d . . .
O6 O 0.5881(5) 0.6830(8) 0.7844(2) Uiso 0.011(3) 18 1 d . . .
O7 O 0.8132(6) 0.9138(14) 0.78394(18) Uiso 0.011(3) 18 1 d . . .
O8 O 0.6211(5) 0.8109(15) 0.73323(16) Uiso 0.011(3) 18 1 d . . .
O9 O 0.0120(2) 0.87277(14) -0.02029(10) Uiso 0.011(3) 18 1 d . . .
O10 O 0 0 0.05484(9) Uiso 0.011(3) 6 1 d . . .

loop_
_atom_site_aniso_label
_atom_site_aniso_type_symbol
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
? ? ? ? ? ? ? ?

loop_
_jana_atom_site_ADP_C_label
_jana_atom_site_ADP_C_type_symbol
_jana_atom_site_ADP_C_111
_jana_atom_site_ADP_C_112
_jana_atom_site_ADP_C_113
_jana_atom_site_ADP_C_122
_jana_atom_site_ADP_C_123
_jana_atom_site_ADP_C_133
_jana_atom_site_ADP_C_222
_jana_atom_site_ADP_C_223
_jana_atom_site_ADP_C_233
_jana_atom_site_ADP_C_333
? ? ? ? ? ? ? ? ? ? ? ?

loop_
_jana_atom_site_ADP_D_label
_jana_atom_site_ADP_D_type_symbol
_jana_atom_site_ADP_D_1111
_jana_atom_site_ADP_D_1112
_jana_atom_site_ADP_D_1113
_jana_atom_site_ADP_D_1122
_jana_atom_site_ADP_D_1123
_jana_atom_site_ADP_D_1133
_jana_atom_site_ADP_D_1222
_jana_atom_site_ADP_D_1223
_jana_atom_site_ADP_D_1233
_jana_atom_site_ADP_D_1333
_jana_atom_site_ADP_D_2222
_jana_atom_site_ADP_D_2223
_jana_atom_site_ADP_D_2233
_jana_atom_site_ADP_D_2333
_jana_atom_site_ADP_D_3333
? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ?

loop_
_jana_atom_site_ADP_E_label
_jana_atom_site_ADP_E_type_symbol
_jana_atom_site_ADP_E_11111
_jana_atom_site_ADP_E_11112
_jana_atom_site_ADP_E_11113
_jana_atom_site_ADP_E_11122
_jana_atom_site_ADP_E_11123
_jana_atom_site_ADP_E_11133
_jana_atom_site_ADP_E_11222
_jana_atom_site_ADP_E_11223
_jana_atom_site_ADP_E_11233
_jana_atom_site_ADP_E_11333
_jana_atom_site_ADP_E_12222
_jana_atom_site_ADP_E_12223
_jana_atom_site_ADP_E_12233
_jana_atom_site_ADP_E_12333
_jana_atom_site_ADP_E_13333
_jana_atom_site_ADP_E_22222
_jana_atom_site_ADP_E_22223
_jana_atom_site_ADP_E_22233
_jana_atom_site_ADP_E_22333
_jana_atom_site_ADP_E_23333
_jana_atom_site_ADP_E_33333
? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ?

loop_
_jana_atom_site_ADP_F_label
_jana_atom_site_ADP_F_type_symbol
_jana_atom_site_ADP_F_111111
_jana_atom_site_ADP_F_111112
_jana_atom_site_ADP_F_111113
_jana_atom_site_ADP_F_111122
_jana_atom_site_ADP_F_111123
_jana_atom_site_ADP_F_111133
_jana_atom_site_ADP_F_111222
_jana_atom_site_ADP_F_111223
_jana_atom_site_ADP_F_111233
_jana_atom_site_ADP_F_111333
_jana_atom_site_ADP_F_112222
_jana_atom_site_ADP_F_112223
_jana_atom_site_ADP_F_112233
_jana_atom_site_ADP_F_112333
_jana_atom_site_ADP_F_113333
_jana_atom_site_ADP_F_122222
_jana_atom_site_ADP_F_122223
_jana_atom_site_ADP_F_122233
_jana_atom_site_ADP_F_122333
_jana_atom_site_ADP_F_123333
_jana_atom_site_ADP_F_133333
_jana_atom_site_ADP_F_222222
_jana_atom_site_ADP_F_222223
_jana_atom_site_ADP_F_222233
_jana_atom_site_ADP_F_222333
_jana_atom_site_ADP_F_223333
_jana_atom_site_ADP_F_233333
_jana_atom_site_ADP_F_333333
? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ?


#=======================================================================

# 10. MOLECULAR GEOMETRY


loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Ca1 Ca1 . 2_765 4.305(17) ?
Ca1 Ca1 . 3_675 4.305(10) ?
Ca1 Eu1 . . 0.372(17) ?
Ca1 Eu1 . 2_765 4.531(14) ?
Ca1 Eu1 . 3_675 4.187(10) ?
Ca1 Ca2 . 16_665 3.842(12) ?
Ca1 Ca2 . 17_545 3.534(12) ?
Ca1 Eu2 . 9_565 5.564(14) ?
Ca1 Eu2 . 16_665 3.52(2) ?
Ca1 Eu2 . 17_545 3.781(18) ?
Ca1 Ca3 . . 3.952(6) ?
Ca1 Ca3 . 16_665 3.881(12) ?
Ca1 Ca3 . 17_545 3.880(11) ?
Ca1 Eu3 . . 3.532(14) ?
Ca1 Eu3 . 3_675 5.559(13) ?
Ca1 Eu3 . 16_665 3.920(17) ?
Ca1 Eu3 . 17_545 4.507(14) ?
Ca1 Ca4 . 16_555 4.38(2) ?
Ca1 Zn1 . 4_664 3.452(6) ?
Ca1 P1 . 16_555 3.537(2) ?
Ca1 P2 . 8_664 3.101(14) ?
Ca1 P2 . 9_564 3.281(13) ?
Ca1 P3 . 8_664 3.540(11) ?
Ca1 P3 . 9_564 3.763(11) ?
Ca1 P3 . 6_564 3.862(6) ?
Ca1 Ge1 . 8_664 3.528(17) ?
Ca1 Ge1 . 6_564 3.477(16) ?
Ca1 O2 . 9_564 2.838(14) ?
Ca1 O3 . 8_664 2.657(16) ?
Ca1 O4 . 8_664 2.329(18) ?
Ca1 O4 . 9_564 2.50(2) ?
Ca1 O5 . 8_664 2.161(10) ?
Ca1 O6 . 9_564 2.483(12) ?
Ca1 O8 . 6_564 2.495(8) ?
Ca1 O9 . 16_655 2.687(5) ?
Eu1 Eu1 . 2_765 4.431(13) ?
Eu1 Eu1 . 3_675 4.431(9) ?
Eu1 Ca2 . 16_665 4.063(12) ?
Eu1 Ca2 . 17_545 3.188(11) ?
Eu1 Ca2 . 18_555 5.638(13) ?
Eu1 Eu2 . 9_565 5.548(18) ?
Eu1 Eu2 . 16_665 3.743(19) ?
Eu1 Eu2 . 17_545 3.445(17) ?
Eu1 Eu2 . 18_555 5.38(2) ?
Eu1 Ca3 . . 3.848(14) ?
Eu1 Ca3 . 16_665 4.123(14) ?
Eu1 Ca3 . 17_545 3.740(12) ?
Eu1 Eu3 . . 3.387(18) ?
Eu1 Eu3 . 2_765 5.715(17) ?
Eu1 Eu3 . 3_675 5.685(14) ?
Eu1 Eu3 . 16_665 4.177(18) ?
Eu1 Eu3 . 17_545 4.365(15) ?
Eu1 Ca4 . 16_555 4.28(2) ?
Eu1 Zn1 . 4_664 3.587(11) ?
Eu1 P1 . 16_555 3.505(5) ?
Eu1 P2 . 8_664 3.468(12) ?
Eu1 P2 . 9_564 3.053(13) ?
Eu1 P3 . 8_664 3.726(12) ?
Eu1 P3 . 9_564 3.465(13) ?
Eu1 P3 . 6_564 3.971(13) ?
Eu1 Ge1 . 8_664 3.616(19) ?
Eu1 Ge1 . 9_564 4.526(19) ?
Eu1 Ge1 . 6_564 3.471(19) ?
Eu1 O2 . 9_564 2.549(13) ?
Eu1 O3 . 8_664 3.007(15) ?
Eu1 O4 . 8_664 2.645(18) ?
Eu1 O4 . 9_564 2.38(2) ?
Eu1 O5 . 8_664 2.293(13) ?
Eu1 O6 . 9_564 2.206(15) ?
Eu1 O8 . 6_564 2.607(14) ?
Eu1 O9 . 16_655 2.515(6) ?
Ca2 Ca2 . 2_665 4.547(8) ?
Ca2 Ca2 . 3_565 4.547(5) ?
Ca2 Eu2 . . 0.354(19) ?
Ca2 Eu2 . 2_665 4.45(2) ?
Ca2 Eu2 . 3_565 4.788(11) ?
Ca2 Ca3 . . 3.633(6) ?
Ca2 Ca3 . 10_664 4.540(9) ?
Ca2 Ca3 . 11_554 4.275(9) ?
Ca2 Eu3 . . 4.065(14) ?
Ca2 Eu3 . 10_664 4.487(16) ?
Ca2 Eu3 . 11_554 3.633(13) ?
Ca2 Ca4 . 1_665 3.664(13) ?
Ca2 Zn1 . 16_554 3.688(6) ?
Ca2 P1 . 1_665 3.654(4) ?
Ca2 P2 . 1_554 3.743(7) ?
Ca2 P2 . 16_664 3.648(8) ?
Ca2 P2 . 17_544 3.787(7) ?
Ca2 P3 . 16_664 3.060(8) ?
Ca2 P3 . 17_544 3.174(8) ?
Ca2 Ge1 . 16_664 4.235(15) ?
Ca2 Ge1 . 17_544 3.077(15) ?
Ca2 O1 . 1_554 2.480(8) ?
Ca2 O2 . 16_664 2.430(10) ?
Ca2 O3 . 17_544 2.444(11) ?
Ca2 O5 . 17_544 2.519(7) ?
Ca2 O6 . 16_664 2.565(9) ?
Ca2 O7 . 16_664 2.379(15) ?
Ca2 O7 . 17_544 2.486(12) ?
Ca2 O9 . 3_565 2.204(3) ?
Eu2 Eu2 . 2_665 4.71(2) ?
Eu2 Eu2 . 2_765 5.73(2) ?
Eu2 Eu2 . 3_565 4.707(14) ?
Eu2 Eu2 . 3_675 5.732(14) ?
Eu2 Ca3 . . 3.630(11) ?
Eu2 Ca3 . 10_664 4.253(17) ?
Eu2 Ca3 . 11_554 4.461(16) ?
Eu2 Eu3 . . 4.036(17) ?
Eu2 Eu3 . 10_664 4.19(2) ?
Eu2 Eu3 . 11_554 3.824(19) ?
Eu2 Eu3 . 12_454 5.73(2) ?
Eu2 Ca4 . 1_665 3.562(15) ?
Eu2 Ca4 . 16_555 5.61(3) ?
Eu2 Zn1 . 16_554 3.738(10) ?
Eu2 P1 . 1_665 3.569(8) ?
Eu2 P2 . 1_554 3.712(12) ?
Eu2 P2 . 16_664 3.918(16) ?
Eu2 P2 . 17_544 3.612(14) ?
Eu2 P3 . 16_664 3.377(17) ?
Eu2 P3 . 17_544 2.902(16) ?
Eu2 Ge1 . 16_664 4.54(2) ?
Eu2 Ge1 . 17_544 2.80(2) ?
Eu2 O1 . 1_554 2.446(12) ?
Eu2 O2 . 16_664 2.640(16) ?
Eu2 O3 . 17_544 2.285(16) ?
Eu2 O5 . 17_544 2.169(18) ?
Eu2 O6 . 16_664 2.877(19) ?
Eu2 O7 . 16_664 2.64(2) ?
Eu2 O7 . 17_544 2.344(15) ?
Eu2 O9 . 3_565 2.202(8) ?
Ca3 Ca3 . 2_765 4.310(13) ?
Ca3 Ca3 . 3_675 4.310(8) ?
Ca3 Eu3 . . 0.644(14) ?
Ca3 Eu3 . 2_765 4.731(17) ?
Ca3 Eu3 . 3_675 4.347(12) ?
Ca3 Ca4 . 1_665 5.45(3) ?
Ca3 Ca4 . 16_555 3.790(13) ?
Ca3 P1 . 1_665 3.321(5) ?
Ca3 P2 . 16_664 3.464(10) ?
Ca3 P2 . 17_544 3.293(9) ?
Ca3 P3 . 8_664 3.018(10) ?
Ca3 P3 . 9_564 3.268(10) ?
Ca3 Ge1 . 8_664 1.953(18) ?
Ca3 Ge1 . 9_564 3.775(19) ?
Ca3 O1 . 17_544 2.993(11) ?
Ca3 O2 . 16_664 2.330(11) ?
Ca3 O3 . 17_544 2.372(10) ?
Ca3 O5 . 8_664 2.584(8) ?
Ca3 O6 . 9_564 2.442(10) ?
Ca3 O8 . 8_664 2.530(17) ?
Ca3 O8 . 9_564 2.562(17) ?
Ca3 O10 . 1_665 2.520(3) ?
Eu3 Eu3 . 2_765 4.744(19) ?
Eu3 Eu3 . 3_675 4.744(14) ?
Eu3 Ca4 . 16_555 3.458(14) ?
Eu3 P1 . 1_665 3.810(12) ?
Eu3 P2 . 16_664 3.782(16) ?
Eu3 P2 . 17_544 3.050(12) ?
Eu3 P3 . 8_664 3.240(14) ?
Eu3 P3 . 9_564 2.847(16) ?
Eu3 Ge1 . 8_664 2.21(2) ?
Eu3 Ge1 . 9_564 3.53(2) ?
Eu3 O1 . 17_544 2.528(13) ?
Eu3 O2 . 16_664 2.752(17) ?
Eu3 O3 . 17_544 2.429(15) ?
Eu3 O5 . 8_664 2.449(14) ?
Eu3 O6 . 9_564 1.902(16) ?
Eu3 O8 . 8_664 3.018(19) ?
Eu3 O8 . 9_564 2.38(2) ?
Eu3 O10 . 1_665 2.867(10) ?
Ca4 P1 . . 2.65(4) ?
Ca4 P2 . 1_444 3.67(2) ?
Ca4 P2 . 2_654 3.67(2) ?
Ca4 P2 . 3_564 3.67(2) ?
Ca4 Ge1 . 16_654 4.061(12) ?
Ca4 Ge1 . 17_434 4.061(10) ?
Ca4 Ge1 . 18_454 4.061(17) ?
Ca4 O1 . 1_444 2.666(14) ?
Ca4 O1 . 2_654 2.666(19) ?
Ca4 O1 . 3_564 2.666(14) ?
Ca4 O9 . 1_545 2.16(3) ?
Ca4 O9 . 2_665 2.16(3) ?
Ca4 O9 . 3_455 2.16(3) ?
Zn1 P2 . 10_554 3.397(3) ?
Zn1 P2 . 11_444 3.397(8) ?
Zn1 P2 . 12_454 3.397(3) ?
Zn1 P3 . 1_445 3.400(4) ?
Zn1 P3 . 2_655 3.400(7) ?
Zn1 P3 . 3_565 3.400(4) ?
Zn1 Ge1 . 1_445 3.594(12) ?
Zn1 Ge1 . 2_655 3.594(16) ?
Zn1 Ge1 . 3_565 3.594(9) ?
Zn1 O4 . 10_554 2.337(7) ?
Zn1 O4 . 11_444 2.34(2) ?
Zn1 O4 . 12_454 2.337(7) ?
Zn1 O7 . 1_445 2.476(8) ?
Zn1 O7 . 2_655 2.476(14) ?
Zn1 O7 . 3_565 2.476(8) ?
P1 O9 . 1_545 1.719(4) ?
P1 O9 . 2_665 1.719(4) ?
P1 O9 . 3_455 1.719(5) ?
P1 O10 . . 1.800(7) ?
P2 Ge1 . 17_545 3.060(13) ?
P2 O1 . . 1.433(7) ?
P2 O2 . . 1.521(10) ?
P2 O3 . . 1.521(9) ?
P2 O4 . . 1.439(5) ?
P3 Ge1 . . 1.240(14) ?
P3 O5 . . 1.772(7) ?
P3 O6 . . 1.524(9) ?
P3 O7 . . 1.458(6) ?
P3 O8 . . 1.544(7) ?
Ge1 O5 . . 1.469(15) ?
Ge1 O7 . . 2.230(16) ?
Ge1 O8 . . 1.462(18) ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
? ? ? ? ? ? ? ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
? ? ? ? ? ? ? ? ? ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_D
_geom_hbond_site_symmetry_H
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_publ_flag
? ? ? ? ? ? ? ? ? ? ?


#=======================================================================

# 11. STRUCTURE-FACTOR LIST

loop_
_refln_index_h
_refln_index_k
_refln_index_l
_refln_F_squared_calc
_refln_F_squared_meas
_refln_F_squared_sigma
_refln_observed_status
? ? ? ? ? ? ?

loop_
_twin_refln_datum_id
_twin_refln_individual_id
_twin_refln_index_h
_twin_refln_index_k
_twin_refln_index_l
_twin_refln_F_squared_calc
_twin_refln_F_squared_meas
_twin_refln_F_squared_sigma
_twin_refln_include_status
? ? ? ? ? ? ? ? ?

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_I_CCDC2
_database_code_depnum_ccdc_archive 'CCDC 2122836'
loop_
_audit_author_name
_audit_author_address
'Sergey s.n.volkov'
;KSC RAS
Russia
;
_audit_update_record             
;
2021-11-18 deposited with the CCDC.	2021-11-26 downloaded from the CCDC.
;
#=======================================================================

# 5. CHEMICAL DATA

_chemical_name_systematic        
; ?
;
_chemical_name_common            ?
_chemical_formula_moiety         ?
_chemical_formula_structural     ?
_chemical_formula_analytical     ?
_chemical_formula_iupac          ?
_chemical_formula_sum            'Ca49.2 Eu5.997 Ge2.399 O168 P39.598 Zn6'
_chemical_formula_weight         7364
_chemical_melting_point          ?
_chemical_compound_source        ?
_chemical_absolute_configuration ?

#=======================================================================

# 6. CRYSTAL DATA

_symmetry_cell_setting           trigonal
_symmetry_space_group_name_H-M   'R 3 c'
_symmetry_space_group_name_Hall  'R 3;-2"c'
_symmetry_Int_Tables_number      161

loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -y,x-y,z
3 -x+y,-x,z
4 -y,-x,z+1/2
5 -x+y,y,z+1/2
6 x,x-y,z+1/2
7 x+2/3,y+1/3,z+1/3
8 -y+2/3,x-y+1/3,z+1/3
9 -x+y+2/3,-x+1/3,z+1/3
10 -y+2/3,-x+1/3,z+5/6
11 -x+y+2/3,y+1/3,z+5/6
12 x+2/3,x-y+1/3,z+5/6
13 x+1/3,y+2/3,z+2/3
14 -y+1/3,x-y+2/3,z+2/3
15 -x+y+1/3,-x+2/3,z+2/3
16 -y+1/3,-x+2/3,z+1/6
17 -x+y+1/3,y+2/3,z+1/6
18 x+1/3,x-y+2/3,z+1/6

_cell_length_a                   10.388380(10)
_cell_length_b                   10.388380(10)
_cell_length_c                   37.223810(56)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     3478.954(9)

loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
_twin_individual_twin_matrix_11
_twin_individual_twin_matrix_12
_twin_individual_twin_matrix_13
_twin_individual_twin_matrix_21
_twin_individual_twin_matrix_22
_twin_individual_twin_matrix_23
_twin_individual_twin_matrix_31
_twin_individual_twin_matrix_32
_twin_individual_twin_matrix_33
? ? ? ? ? ? ? ? ? ? ?

_cell_formula_units_Z            1

_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?
_cell_measurement_temperature    300
_cell_special_details            
; ?
;

_exptl_crystal_density_diffrn    3.5149
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_F_000             ?

_exptl_absorpt_coefficient_mu    42.476
_exptl_crystal_description       ?
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_crystal_size_rad          ?
_exptl_crystal_colour            ?
_exptl_absorpt_correction_type   ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
? ? ? ?

#=======================================================================

# 7. EXPERIMENTAL DATA

_exptl_special_details           ?

_diffrn_ambient_temperature      300
_diffrn_source                   ?
_diffrn_source_power             ?
_diffrn_source_voltage           ?
_diffrn_source_current           ?
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.540598
_diffrn_radiation_monochromator  ?
_diffrn_measurement_device       'Rigaku Smartlab SE '
_diffrn_measurement_device_type  ?
_diffrn_detector                 ?
_diffrn_detector_type            ?

_pd_meas_scan_method             ?
_pd_meas_special_details         
; ?
;
_pd_meas_number_of_points        5251
_pd_meas_2theta_range_min        5.000
_pd_meas_2theta_range_max        80.000
_pd_meas_2theta_range_inc        0.02

_diffrn_radiation_probe          X-ray


#=======================================================================

# 8. REFINEMENT DATA

_pd_proc_ls_special_details      
; ?
;
_pd_proc_ls_profile_function     Pseudo-Voigt
_pd_proc_ls_background_function  '31 Legendre polynoms'
_pd_proc_ls_pref_orient_corr     ?
_pd_proc_ls_prof_R_factor        0.070
_pd_proc_ls_prof_wR_factor       0.082
_pd_proc_ls_prof_wR_expected     0.0250

_refine_special_details          
; ?
;

_refine_ls_R_factor_gt           ?
_refine_ls_wR_factor_gt          ?
_refine_ls_R_factor_all          ?
_refine_ls_wR_factor_all         ?
_refine_ls_goodness_of_fit_all   2.54
_refine_ls_restrained_S_gt       ?
_refine_ls_restrained_S_all      ?
_refine_ls_number_parameters     79
_refine_ls_number_restraints     ?
_refine_ls_number_constraints    ?
_refine_ls_weighting_scheme      sigma
_refine_ls_weighting_details     ?
_refine_ls_hydrogen_treatment    ?

_refine_ls_shift/su_max          ?
_refine_ls_shift/su_mean         ?
_refine_diff_density_max         ?
_refine_diff_density_min         ?
_refine_ls_extinction_method     ?
_refine_ls_extinction_coef       ?
_refine_ls_extinction_expression ?
_refine_ls_abs_structure_details ?
_refine_ls_abs_structure_Flack   ?
_refine_ls_abs_structure_Rogers  ?

loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Ca 0.2262 0.3064 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
Eu -0.1578 3.6682 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
Ge 0.1547 1.8001 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
O 0.0106 0.0060 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
P 0.1023 0.0942 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
Zn 0.2839 1.4301 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  ?
_computing_molecular_graphics    ?
_computing_publication_material  ?

loop_
_restr_distance_atom_site_label_1
_restr_distance_site_symmetry_1
_restr_distance_atom_site_label_2
_restr_distance_site_symmetry_2
_restr_distance_target
_restr_distance_target_weight_param
? ? ? ? ? ?

loop_
_restr_angle_atom_site_label_1
_restr_angle_site_symmetry_1
_restr_angle_atom_site_label_2
_restr_angle_site_symmetry_2
_restr_angle_atom_site_label_3
_restr_angle_site_symmetry_3
_restr_angle_target
_restr_angle_target_weight_param
? ? ? ? ? ? ? ?

loop_
_restr_torsion_atom_site_label_1
_restr_torsion_site_symmetry_1
_restr_torsion_atom_site_label_2
_restr_torsion_site_symmetry_2
_restr_torsion_atom_site_label_3
_restr_torsion_site_symmetry_3
_restr_torsion_atom_site_label_4
_restr_torsion_site_symmetry_4
_restr_torsion_angle_target
_restr_torsion_weight_param
? ? ? ? ? ? ? ? ? ?

loop_
_restr_equal_distance_atom_site_label_1
_restr_equal_distance_site_symmetry_1
_restr_equal_distance_atom_site_label_2
_restr_equal_distance_site_symmetry_2
_restr_equal_distance_class_class_id
_restr_equal_distance_class_target_weight_param
? ? ? ? ? ?

loop_
_restr_equal_angle_atom_site_label_1
_restr_equal_angle_site_symmetry_1
_restr_equal_angle_atom_site_label_2
_restr_equal_angle_site_symmetry_2
_restr_equal_angle_atom_site_label_3
_restr_equal_angle_site_symmetry_3
_restr_equal_angle_class_class_id
_restr_equal_angle_class_target_weight_param
? ? ? ? ? ? ? ?

loop_
_restr_equal_torsion_atom_site_label_1
_restr_equal_torsion_site_symmetry_1
_restr_equal_torsion_atom_site_label_2
_restr_equal_torsion_site_symmetry_2
_restr_equal_torsion_atom_site_label_3
_restr_equal_torsion_site_symmetry_3
_restr_equal_torsion_atom_site_label_4
_restr_equal_torsion_site_symmetry_4
_restr_equal_torsion_class_class_id
_restr_equal_torsion_class_target_weight_param
? ? ? ? ? ? ? ? ? ?


#=======================================================================

# 9. ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_adp_type
_atom_site_U_iso_or_equiv
_atom_site_site_symmetry_multiplicity
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ca1 Ca 0.72404(9) 0.8640(3) 0.17149(4) Uiso 0.0113(6) 18 0.8447(14) d . . .
Eu1 Eu 0.71538(16) 0.8307(3) 0.17236(8) Uiso 0.0113(6) 18 0.15533(6) d . . .
Ca2 Ca 0.62220(9) 0.8242(3) -0.02948(4) Uiso 0.0113(6) 18 0.8877(12) d . . .
Eu2 Eu 0.6217(3) 0.8110(10) -0.02784(10) Uiso 0.0113(6) 18 0.112300(17) d . . .
Ca3 Ca 0.72151(9) 0.8570(3) 0.06535(3) Uiso 0.0113(6) 18 0.9343(12) d . . .
Eu3 Eu 0.7016(4) 0.8026(4) 0.0679(2) Uiso 0.0113(6) 18 0.0657 d . . .
Ca4 Ca 0 0 -0.0644(10) Uiso 0.0113(6) 6 0.2 d . . .
Zn1 Zn 0 0 0.73686(6) Uiso 0.0113(6) 6 1 d . . .
P1 P 0 0 0.00605(5) Uiso 0.016(3) 6 1 d . . .
P2 P 0.68766(9) 0.8578(2) 0.87094(4) Uiso 0.016(3) 18 1 d . . .
P3 P 0.66085(10) 0.84954(18) 0.77124(5) Uiso 0.016(3) 18 0.8667 d . . .
Ge1 Ge 0.6292(6) 0.9569(5) 0.7634(2) Uiso 0.016(3) 18 0.1333 d . . .
O1 O 0.72802(15) 0.8959(3) 0.90793(5) Uiso 0.011(3) 18 1 d . . .
O2 O 0.74903(19) 0.7619(3) 0.85852(8) Uiso 0.011(3) 18 1 d . . .
O3 O 0.74397(18) 1.0027(3) 0.85073(9) Uiso 0.011(3) 18 1 d . . .
O4 O 0.52963(19) 0.7706(7) 0.86655(6) Uiso 0.011(3) 18 1 d . . .
O5 O 0.6102(2) 0.9718(3) 0.79184(14) Uiso 0.011(3) 18 1 d . . .
O6 O 0.59041(19) 0.6856(3) 0.78522(7) Uiso 0.011(3) 18 1 d . . .
O7 O 0.81432(19) 0.9131(4) 0.78009(7) Uiso 0.011(3) 18 1 d . . .
O8 O 0.62848(17) 0.8277(4) 0.72779(7) Uiso 0.011(3) 18 1 d . . .
O9 O 0.0120(2) 0.87277(14) -0.02029(10) Uiso 0.011(3) 18 1 d . . .
O10 O 0 0 0.05484(9) Uiso 0.011(3) 6 1 d . . .

loop_
_atom_site_aniso_label
_atom_site_aniso_type_symbol
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
? ? ? ? ? ? ? ?

loop_
_jana_atom_site_ADP_C_label
_jana_atom_site_ADP_C_type_symbol
_jana_atom_site_ADP_C_111
_jana_atom_site_ADP_C_112
_jana_atom_site_ADP_C_113
_jana_atom_site_ADP_C_122
_jana_atom_site_ADP_C_123
_jana_atom_site_ADP_C_133
_jana_atom_site_ADP_C_222
_jana_atom_site_ADP_C_223
_jana_atom_site_ADP_C_233
_jana_atom_site_ADP_C_333
? ? ? ? ? ? ? ? ? ? ? ?

loop_
_jana_atom_site_ADP_D_label
_jana_atom_site_ADP_D_type_symbol
_jana_atom_site_ADP_D_1111
_jana_atom_site_ADP_D_1112
_jana_atom_site_ADP_D_1113
_jana_atom_site_ADP_D_1122
_jana_atom_site_ADP_D_1123
_jana_atom_site_ADP_D_1133
_jana_atom_site_ADP_D_1222
_jana_atom_site_ADP_D_1223
_jana_atom_site_ADP_D_1233
_jana_atom_site_ADP_D_1333
_jana_atom_site_ADP_D_2222
_jana_atom_site_ADP_D_2223
_jana_atom_site_ADP_D_2233
_jana_atom_site_ADP_D_2333
_jana_atom_site_ADP_D_3333
? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ?

loop_
_jana_atom_site_ADP_E_label
_jana_atom_site_ADP_E_type_symbol
_jana_atom_site_ADP_E_11111
_jana_atom_site_ADP_E_11112
_jana_atom_site_ADP_E_11113
_jana_atom_site_ADP_E_11122
_jana_atom_site_ADP_E_11123
_jana_atom_site_ADP_E_11133
_jana_atom_site_ADP_E_11222
_jana_atom_site_ADP_E_11223
_jana_atom_site_ADP_E_11233
_jana_atom_site_ADP_E_11333
_jana_atom_site_ADP_E_12222
_jana_atom_site_ADP_E_12223
_jana_atom_site_ADP_E_12233
_jana_atom_site_ADP_E_12333
_jana_atom_site_ADP_E_13333
_jana_atom_site_ADP_E_22222
_jana_atom_site_ADP_E_22223
_jana_atom_site_ADP_E_22233
_jana_atom_site_ADP_E_22333
_jana_atom_site_ADP_E_23333
_jana_atom_site_ADP_E_33333
? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ?

loop_
_jana_atom_site_ADP_F_label
_jana_atom_site_ADP_F_type_symbol
_jana_atom_site_ADP_F_111111
_jana_atom_site_ADP_F_111112
_jana_atom_site_ADP_F_111113
_jana_atom_site_ADP_F_111122
_jana_atom_site_ADP_F_111123
_jana_atom_site_ADP_F_111133
_jana_atom_site_ADP_F_111222
_jana_atom_site_ADP_F_111223
_jana_atom_site_ADP_F_111233
_jana_atom_site_ADP_F_111333
_jana_atom_site_ADP_F_112222
_jana_atom_site_ADP_F_112223
_jana_atom_site_ADP_F_112233
_jana_atom_site_ADP_F_112333
_jana_atom_site_ADP_F_113333
_jana_atom_site_ADP_F_122222
_jana_atom_site_ADP_F_122223
_jana_atom_site_ADP_F_122233
_jana_atom_site_ADP_F_122333
_jana_atom_site_ADP_F_123333
_jana_atom_site_ADP_F_133333
_jana_atom_site_ADP_F_222222
_jana_atom_site_ADP_F_222223
_jana_atom_site_ADP_F_222233
_jana_atom_site_ADP_F_222333
_jana_atom_site_ADP_F_223333
_jana_atom_site_ADP_F_233333
_jana_atom_site_ADP_F_333333
? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ?


#=======================================================================

# 10. MOLECULAR GEOMETRY


loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Ca1 Ca1 . 2_765 4.300(4) ?
Ca1 Ca1 . 3_675 4.300(3) ?
Ca1 Eu1 . . 0.312(4) ?
Ca1 Eu1 . 2_765 4.522(4) ?
Ca1 Eu1 . 3_675 4.226(3) ?
Ca1 Ca2 . 8_665 5.485(3) ?
Ca1 Ca2 . 16_665 3.784(4) ?
Ca1 Ca2 . 17_545 3.591(4) ?
Ca1 Eu2 . 8_665 5.589(6) ?
Ca1 Eu2 . 9_565 5.606(6) ?
Ca1 Eu2 . 16_665 3.653(9) ?
Ca1 Eu2 . 17_545 3.683(9) ?
Ca1 Ca3 . . 3.952(2) ?
Ca1 Ca3 . 16_665 3.819(4) ?
Ca1 Ca3 . 17_545 3.902(3) ?
Ca1 Eu3 . . 3.896(8) ?
Ca1 Eu3 . 16_665 3.572(7) ?
Ca1 Eu3 . 17_545 4.364(5) ?
Ca1 Ca4 . 16_555 4.36(2) ?
Ca1 Zn1 . 4_664 3.476(2) ?
Ca1 P1 . 16_555 3.5154(8) ?
Ca1 P2 . 8_664 3.032(4) ?
Ca1 P2 . 9_564 3.265(4) ?
Ca1 P3 . 8_664 3.581(3) ?
Ca1 P3 . 9_564 3.839(3) ?
Ca1 P3 . 6_564 3.762(2) ?
Ca1 Ge1 . 8_664 3.186(9) ?
Ca1 Ge1 . 6_564 3.831(9) ?
Ca1 O2 . 9_564 2.808(4) ?
Ca1 O3 . 8_664 2.601(5) ?
Ca1 O4 . 8_664 2.387(6) ?
Ca1 O4 . 9_564 2.518(7) ?
Ca1 O5 . 8_664 2.158(5) ?
Ca1 O6 . 9_564 2.472(4) ?
Ca1 O8 . 6_564 2.271(3) ?
Ca1 O9 . 16_655 2.673(2) ?
Eu1 Eu1 . 2_765 4.462(4) ?
Eu1 Eu1 . 3_675 4.462(2) ?
Eu1 Ca2 . 8_665 5.597(3) ?
Eu1 Ca2 . 9_565 5.479(3) ?
Eu1 Ca2 . 16_665 3.999(4) ?
Eu1 Ca2 . 17_545 3.327(3) ?
Eu1 Eu2 . 8_665 5.704(6) ?
Eu1 Eu2 . 9_565 5.480(6) ?
Eu1 Eu2 . 16_665 3.872(9) ?
Eu1 Eu2 . 17_545 3.417(9) ?
Eu1 Eu2 . 18_555 5.511(10) ?
Eu1 Ca3 . . 3.991(3) ?
Eu1 Ca3 . 16_665 3.933(4) ?
Eu1 Ca3 . 17_545 3.674(3) ?
Eu1 Eu3 . . 3.896(8) ?
Eu1 Eu3 . 16_665 3.697(7) ?
Eu1 Eu3 . 17_545 4.126(6) ?
Eu1 Eu3 . 18_555 5.754(7) ?
Eu1 Ca4 . 16_555 4.32(2) ?
Eu1 Zn1 . 4_664 3.521(3) ?
Eu1 P1 . 16_555 3.4486(15) ?
Eu1 P2 . 8_664 3.306(4) ?
Eu1 P2 . 9_564 3.020(4) ?
Eu1 P3 . 8_664 3.830(3) ?
Eu1 P3 . 9_564 3.684(3) ?
Eu1 P3 . 6_564 3.714(3) ?
Eu1 Ge1 . 8_664 3.367(9) ?
Eu1 Ge1 . 6_564 3.677(9) ?
Eu1 O2 . 9_564 2.503(4) ?
Eu1 O3 . 8_664 2.872(5) ?
Eu1 O4 . 8_664 2.619(6) ?
Eu1 O4 . 9_564 2.383(7) ?
Eu1 O5 . 8_664 2.364(5) ?
Eu1 O6 . 9_564 2.348(4) ?
Eu1 O8 . 6_564 2.211(4) ?
Eu1 O9 . 16_655 2.539(2) ?
Ca2 Ca2 . 2_665 4.508(3) ?
Ca2 Ca2 . 3_565 4.508(2) ?
Ca2 Eu2 . . 0.148(10) ?
Ca2 Eu2 . 2_665 4.432(12) ?
Ca2 Eu2 . 3_565 4.567(5) ?
Ca2 Ca3 . . 3.6454(19) ?
Ca2 Ca3 . 10_664 4.484(3) ?
Ca2 Ca3 . 11_554 4.243(3) ?
Ca2 Eu3 . . 3.749(7) ?
Ca2 Eu3 . 10_664 4.689(6) ?
Ca2 Eu3 . 11_554 3.811(6) ?
Ca2 Ca4 . 1_665 3.642(13) ?
Ca2 Zn1 . 16_554 3.604(2) ?
Ca2 P1 . 1_665 3.6497(12) ?
Ca2 P2 . 1_554 3.753(2) ?
Ca2 P2 . 16_664 3.686(3) ?
Ca2 P2 . 17_544 3.690(3) ?
Ca2 P3 . 16_664 3.133(3) ?
Ca2 P3 . 17_544 3.077(3) ?
Ca2 Ge1 . 16_664 4.399(7) ?
Ca2 Ge1 . 17_544 2.760(8) ?
Ca2 O1 . 1_554 2.524(2) ?
Ca2 O2 . 16_664 2.423(3) ?
Ca2 O3 . 17_544 2.286(4) ?
Ca2 O5 . 17_544 2.440(4) ?
Ca2 O6 . 16_664 2.591(3) ?
Ca2 O7 . 16_664 2.425(5) ?
Ca2 O7 . 17_544 2.474(4) ?
Ca2 O9 . 3_565 2.222(2) ?
Eu2 Eu2 . 2_665 4.494(13) ?
Eu2 Eu2 . 3_565 4.494(8) ?
Eu2 Ca3 . . 3.583(4) ?
Eu2 Ca3 . 10_664 4.428(8) ?
Eu2 Ca3 . 11_554 4.375(8) ?
Eu2 Eu3 . . 3.670(8) ?
Eu2 Eu3 . 10_664 4.633(10) ?
Eu2 Eu3 . 11_554 3.942(9) ?
Eu2 Ca4 . 1_665 3.665(14) ?
Eu2 Ca4 . 16_555 5.49(3) ?
Eu2 Zn1 . 16_554 3.641(3) ?
Eu2 P1 . 1_665 3.629(3) ?
Eu2 P2 . 1_554 3.817(4) ?
Eu2 P2 . 16_664 3.733(8) ?
Eu2 P2 . 17_544 3.556(7) ?
Eu2 P3 . 16_664 3.268(9) ?
Eu2 P3 . 17_544 2.984(9) ?
Eu2 Ge1 . 16_664 4.525(11) ?
Eu2 Ge1 . 17_544 2.684(12) ?
Eu2 O1 . 1_554 2.596(4) ?
Eu2 O2 . 16_664 2.445(7) ?
Eu2 O3 . 17_544 2.155(8) ?
Eu2 O5 . 17_544 2.326(10) ?
Eu2 O6 . 16_664 2.737(10) ?
Eu2 O7 . 16_664 2.522(8) ?
Eu2 O7 . 17_544 2.411(7) ?
Eu2 O9 . 3_565 2.249(4) ?
Ca3 Ca3 . 2_765 4.340(4) ?
Ca3 Ca3 . 3_675 4.340(2) ?
Ca3 Eu3 . . 0.505(5) ?
Ca3 Eu3 . 2_765 4.742(5) ?
Ca3 Eu3 . 3_675 4.301(4) ?
Ca3 Ca4 . 1_665 5.44(3) ?
Ca3 Ca4 . 16_555 3.753(13) ?
Ca3 P1 . 1_665 3.3393(16) ?
Ca3 P2 . 16_664 3.527(3) ?
Ca3 P2 . 17_544 3.211(3) ?
Ca3 P3 . 8_664 3.013(3) ?
Ca3 P3 . 9_564 3.226(3) ?
Ca3 Ge1 . 8_664 1.988(9) ?
Ca3 Ge1 . 9_564 4.053(9) ?
Ca3 O1 . 17_544 2.777(3) ?
Ca3 O2 . 16_664 2.458(4) ?
Ca3 O3 . 17_544 2.485(3) ?
Ca3 O5 . 8_664 2.605(5) ?
Ca3 O6 . 9_564 2.449(4) ?
Ca3 O8 . 8_664 2.507(5) ?
Ca3 O8 . 9_564 2.673(5) ?
Ca3 O10 . 1_665 2.5361(10) ?
Eu3 Eu3 . 2_765 4.730(6) ?
Eu3 Eu3 . 3_675 4.730(5) ?
Eu3 Ca4 . 1_665 5.63(3) ?
Eu3 Ca4 . 16_555 3.586(14) ?
Eu3 Zn1 . 7_554 4.704(5) ?
Eu3 P1 . 1_665 3.572(6) ?
Eu3 P2 . 16_664 3.801(6) ?
Eu3 P2 . 17_544 2.813(5) ?
Eu3 P3 . 8_664 3.416(5) ?
Eu3 P3 . 9_564 2.898(6) ?
Eu3 Ge1 . 8_664 2.330(10) ?
Eu3 Ge1 . 9_564 3.815(10) ?
Eu3 O1 . 17_544 2.329(4) ?
Eu3 O2 . 16_664 2.721(7) ?
Eu3 O3 . 17_544 2.274(7) ?
Eu3 O5 . 8_664 2.786(8) ?
Eu3 O6 . 9_564 2.172(8) ?
Eu3 O8 . 8_664 3.008(6) ?
Eu3 O8 . 9_564 2.396(7) ?
Eu3 O10 . 1_665 2.774(4) ?
Ca4 P1 . . 2.62(4) ?
Ca4 P2 . 1_444 3.70(2) ?
Ca4 P2 . 2_654 3.70(2) ?
Ca4 P2 . 3_564 3.70(2) ?
Ca4 Ge1 . 16_654 3.737(6) ?
Ca4 Ge1 . 17_434 3.737(5) ?
Ca4 Ge1 . 18_454 3.737(9) ?
Ca4 O1 . 1_444 2.675(14) ?
Ca4 O1 . 2_654 2.675(14) ?
Ca4 O1 . 3_564 2.675(14) ?
Ca4 O9 . 1_545 2.15(3) ?
Ca4 O9 . 2_665 2.15(3) ?
Ca4 O9 . 3_455 2.15(3) ?
Zn1 P2 . 10_554 3.4139(12) ?
Zn1 P2 . 11_444 3.414(3) ?
Zn1 P2 . 12_454 3.4139(12) ?
Zn1 P3 . 1_445 3.3146(14) ?
Zn1 P3 . 2_655 3.315(3) ?
Zn1 P3 . 3_565 3.3146(14) ?
Zn1 O4 . 10_554 2.240(2) ?
Zn1 O4 . 11_444 2.240(7) ?
Zn1 O4 . 12_454 2.240(2) ?
Zn1 O7 . 1_445 2.320(3) ?
Zn1 O7 . 2_655 2.320(5) ?
Zn1 O7 . 3_565 2.320(3) ?
P1 O9 . 1_545 1.700(3) ?
P1 O9 . 2_665 1.700(3) ?
P1 O9 . 3_455 1.700(3) ?
P1 O10 . . 1.816(4) ?
P2 Ge1 . 17_545 3.188(8) ?
P2 O1 . . 1.436(2) ?
P2 O2 . . 1.499(4) ?
P2 O3 . . 1.514(3) ?
P2 O4 . . 1.4336(19) ?
P3 Ge1 . . 1.343(7) ?
P3 O5 . . 1.774(4) ?
P3 O6 . . 1.569(3) ?
P3 O7 . . 1.426(2) ?
P3 O8 . . 1.644(3) ?
Ge1 O5 . . 1.102(10) ?
Ge1 O7 . . 2.273(8) ?
Ge1 O8 . . 1.883(8) ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
? ? ? ? ? ? ? ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
? ? ? ? ? ? ? ? ? ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_D
_geom_hbond_site_symmetry_H
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_publ_flag
? ? ? ? ? ? ? ? ? ? ?


#=======================================================================

# 11. STRUCTURE-FACTOR LIST

loop_
_refln_index_h
_refln_index_k
_refln_index_l
_refln_F_squared_calc
_refln_F_squared_meas
_refln_F_squared_sigma
_refln_observed_status
? ? ? ? ? ? ?

loop_
_twin_refln_datum_id
_twin_refln_individual_id
_twin_refln_index_h
_twin_refln_index_k
_twin_refln_index_l
_twin_refln_F_squared_calc
_twin_refln_F_squared_meas
_twin_refln_F_squared_sigma
_twin_refln_include_status
? ? ? ? ? ? ? ? ?

