# Electronic Supplementary Material (ESI) for New Journal of Chemistry.
# This journal is © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 2023

####################################################################### 
# 
# 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_longtime
_database_code_depnum_ccdc_archive 'CCDC 2255929'
loop_
_audit_author_name
_audit_author_address
'Zhiyuan Zhang'
;YiLi Normal University
China
;
_audit_update_record             
;
2023-04-13 deposited with the CCDC.	2023-08-15 downloaded from the CCDC.
;
_audit_creation_date             2023-04-08
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         Mg2Pb2Si2O7F2
_chemical_formula_sum            Mg2Pb2Si2O7F2
_chemical_formula_weight         669.18
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mg Mg 0.0486 0.0363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pb Pb -3.3944 10.1111 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           60
_space_group_name_H-M_alt        'P b c n'
_space_group_name_Hall           '-P 2n 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y+1/2, z+1/2'
'-x, y, -z+1/2'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x-1/2, y-1/2, -z-1/2'
'x, -y, z-1/2'
'-x-1/2, y-1/2, z'

_cell_length_a                   7.0395(2)
_cell_length_b                   10.9134(4)
_cell_length_c                   10.0979(4)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     775.77(5)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    4717
_cell_measurement_temperature    298.0
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      3.44
_shelx_estimated_absorpt_T_max   0.058
_shelx_estimated_absorpt_T_min   0.050
_exptl_absorpt_coefficient_mu    43.869
_exptl_absorpt_correction_T_max  0.2038
_exptl_absorpt_correction_T_min  0.0696
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   .
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    5.730
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1160
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.15
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0671
_diffrn_reflns_av_unetI/netI     0.0309
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            10642
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.511
_diffrn_reflns_theta_min         3.444
_diffrn_ambient_temperature      298.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                836
_reflns_number_total             897
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         1.323
_refine_diff_density_min         -1.409
_refine_diff_density_rms         0.308
_refine_ls_extinction_coef       0.00256(19)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.172
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     72
_refine_ls_number_reflns         897
_refine_ls_number_restraints     24
_refine_ls_R_factor_all          0.0232
_refine_ls_R_factor_gt           0.0213
_refine_ls_restrained_S_all      1.158
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0170P)²+3.7609P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0486
_refine_ls_wR_factor_ref         0.0500
_refine_special_details          ?
_olex2_refinement_description    
;
1. Uiso/Uaniso restraints and constraints
Uanis(O2) \\sim Ueq, Uanis(O4) \\sim Ueq, Uanis(O3) \\sim Ueq, Uanis(O1) \\sim
Ueq: with sigma of 0.1 and sigma for terminal atoms of 0.2
Uanis(O1) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
;
_atom_sites_solution_hydrogens   .
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pb1 Pb 0.91158(3) 0.16751(2) 0.55991(2) 0.01097(12) Uani 1 1 d . . . . .
Mg1 Mg 1.000000 0.500000 0.500000 0.0092(5) Uani 1 2 d S . P . .
Mg2 Mg 1.000000 0.3495(2) 0.250000 0.0088(5) Uani 1 2 d S T P . .
Si1 Si 0.7178(2) 0.41134(14) 0.74779(16) 0.0072(3) Uani 1 1 d . . . . .
O4 O 0.8318(6) 0.5137(4) 0.6644(4) 0.0100(8) Uani 1 1 d . U . . .
O1 O 0.500000 0.4681(5) 0.750000 0.0120(12) Uani 1 2 d S TU P . .
O2 O 0.6961(6) 0.2782(4) 0.6772(4) 0.0110(8) Uani 1 1 d . U . . .
O3 O 0.7970(6) 0.3953(4) 0.8984(4) 0.0124(8) Uani 1 1 d . U . . .
F1 F 0.8796(5) 0.3507(3) 0.4272(3) 0.0102(7) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pb1 Mg1 3.4789(2) 4_456 ?
Pb1 Mg2 3.4804(3) 2_655 ?
Pb1 O4 2.620(4) 8_755 ?
Pb1 O2 2.272(4) . ?
Pb1 O3 2.299(4) 2_654 ?
Pb1 F1 2.417(4) . ?
Mg1 O4 2.045(4) . ?
Mg1 O4 2.045(4) 5_766 ?
Mg1 O3 2.098(4) 3_756 ?
Mg1 O3 2.098(4) 7_565 ?
Mg1 F1 1.979(3) 5_766 ?
Mg1 F1 1.979(3) . ?
Mg2 Mg2 0.000(5) 3_755 ?
Mg2 Si1 3.233(3) 4_556 ?
Mg2 Si1 3.233(3) 2_654 ?
Mg2 O4 2.092(4) 7_565 ?
Mg2 O4 2.092(4) 5_766 ?
Mg2 O2 2.094(4) 2_654 ?
Mg2 O2 2.094(4) 4_556 ?
Mg2 F1 1.980(3) 3_755 ?
Mg2 F1 1.980(3) . ?
Si1 O4 1.613(4) . ?
Si1 O1 1.654(3) . ?
Si1 O2 1.626(4) . ?
Si1 O3 1.629(5) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Mg1 Pb1 Mg2 51.29(3) 4_456 2_655 ?
O4 Pb1 Mg1 35.80(9) 8_755 4_456 ?
O4 Pb1 Mg2 36.81(10) 8_755 2_655 ?
O2 Pb1 Mg1 79.27(10) . 4_456 ?
O2 Pb1 Mg2 35.41(11) . 2_655 ?
O2 Pb1 O4 72.17(13) . 8_755 ?
O2 Pb1 O3 95.85(16) . 2_654 ?
O2 Pb1 F1 77.71(13) . . ?
O3 Pb1 Mg1 35.72(10) 2_654 4_456 ?
O3 Pb1 Mg2 81.01(11) 2_654 2_655 ?
O3 Pb1 O4 71.18(14) 2_654 8_755 ?
O3 Pb1 F1 78.09(14) 2_654 . ?
F1 Pb1 Mg1 105.10(8) . 4_456 ?
F1 Pb1 Mg2 105.79(9) . 2_655 ?
F1 Pb1 O4 133.79(12) . 8_755 ?
Pb1 Mg1 Pb1 180.0 8_765 4_556 ?
O4 Mg1 Pb1 48.55(12) 5_766 4_556 ?
O4 Mg1 Pb1 48.55(12) . 8_765 ?
O4 Mg1 Pb1 131.45(12) 5_766 8_765 ?
O4 Mg1 Pb1 131.45(12) . 4_556 ?
O4 Mg1 O4 180.0 . 5_766 ?
O4 Mg1 O3 92.14(16) . 3_756 ?
O4 Mg1 O3 92.14(16) 5_766 7_565 ?
O4 Mg1 O3 87.86(16) 5_766 3_756 ?
O4 Mg1 O3 87.86(16) . 7_565 ?
O3 Mg1 Pb1 39.77(12) 3_756 4_556 ?
O3 Mg1 Pb1 140.23(12) 7_565 4_556 ?
O3 Mg1 Pb1 140.23(12) 3_756 8_765 ?
O3 Mg1 Pb1 39.77(12) 7_565 8_765 ?
O3 Mg1 O3 180.0 3_756 7_565 ?
F1 Mg1 Pb1 98.08(11) 5_766 4_556 ?
F1 Mg1 Pb1 81.92(11) . 4_556 ?
F1 Mg1 Pb1 81.92(11) 5_766 8_765 ?
F1 Mg1 Pb1 98.08(11) . 8_765 ?
F1 Mg1 O4 96.54(15) 5_766 5_766 ?
F1 Mg1 O4 83.46(15) 5_766 . ?
F1 Mg1 O4 83.46(15) . 5_766 ?
F1 Mg1 O4 96.54(15) . . ?
F1 Mg1 O3 88.58(17) . 7_565 ?
F1 Mg1 O3 91.42(17) . 3_756 ?
F1 Mg1 O3 91.42(17) 5_766 7_565 ?
F1 Mg1 O3 88.58(17) 5_766 3_756 ?
F1 Mg1 F1 180.0 . 5_766 ?
Pb1 Mg2 Pb1 173.90(9) 2_654 4_556 ?
Mg1 Mg2 Pb1 119.43(4) 3_755 4_556 ?
Mg1 Mg2 Pb1 64.328(12) 3_755 2_654 ?
Mg1 Mg2 Si1 118.32(4) 3_755 2_654 ?
Mg1 Mg2 Si1 119.08(4) 3_755 4_556 ?
Mg2 Mg2 Pb1 0(7) 3_755 4_556 ?
Mg2 Mg2 Pb1 0(10) 3_755 2_654 ?
Mg2 Mg2 Mg1 0.00(4) 3_755 3_755 ?
Mg2 Mg2 Si1 0(10) 3_755 2_654 ?
Mg2 Mg2 Si1 0(10) 3_755 4_556 ?
Mg2 Mg2 O4 0(10) 3_755 5_766 ?
Mg2 Mg2 O4 0(10) 3_755 7_565 ?
Mg2 Mg2 O2 0(10) 3_755 2_654 ?
Mg2 Mg2 O2 0(10) 3_755 4_556 ?
Mg2 Mg2 F1 0(10) 3_755 . ?
Mg2 Mg2 F1 0(10) 3_755 3_755 ?
Si1 Mg2 Pb1 110.59(6) 4_556 2_654 ?
Si1 Mg2 Pb1 63.55(4) 2_654 2_654 ?
Si1 Mg2 Pb1 110.59(6) 2_654 4_556 ?
Si1 Mg2 Pb1 63.55(4) 4_556 4_556 ?
Si1 Mg2 Si1 56.62(7) 2_654 4_556 ?
O4 Mg2 Pb1 48.63(11) 5_766 4_556 ?
O4 Mg2 Pb1 48.63(11) 7_565 2_654 ?
O4 Mg2 Pb1 137.47(15) 7_565 4_556 ?
O4 Mg2 Pb1 137.47(15) 5_766 2_654 ?
O4 Mg2 Mg1 87.53(14) 5_766 3_755 ?
O4 Mg2 Mg1 42.67(11) 7_565 3_755 ?
O4 Mg2 Si1 154.09(13) 5_766 2_654 ?
O4 Mg2 Si1 110.91(12) 5_766 4_556 ?
O4 Mg2 Si1 110.91(12) 7_565 2_654 ?
O4 Mg2 Si1 154.09(13) 7_565 4_556 ?
O4 Mg2 O4 89.0(2) 5_766 7_565 ?
O4 Mg2 O2 173.01(17) 5_766 2_654 ?
O4 Mg2 O2 87.51(16) 5_766 4_556 ?
O4 Mg2 O2 87.51(16) 7_565 2_654 ?
O4 Mg2 O2 173.01(17) 7_565 4_556 ?
O2 Mg2 Pb1 134.98(15) 2_654 4_556 ?
O2 Mg2 Pb1 134.98(15) 4_556 2_654 ?
O2 Mg2 Pb1 38.95(11) 2_654 2_654 ?
O2 Mg2 Pb1 38.95(11) 4_556 4_556 ?
O2 Mg2 Mg1 131.07(12) 4_556 3_755 ?
O2 Mg2 Mg1 93.93(11) 2_654 3_755 ?
O2 Mg2 Si1 74.30(14) 2_654 4_556 ?
O2 Mg2 Si1 25.77(12) 2_654 2_654 ?
O2 Mg2 Si1 74.30(14) 4_556 2_654 ?
O2 Mg2 Si1 25.77(12) 4_556 4_556 ?
O2 Mg2 O2 96.6(2) 2_654 4_556 ?
F1 Mg2 Pb1 81.86(10) 3_755 2_654 ?
F1 Mg2 Pb1 81.86(10) . 4_556 ?
F1 Mg2 Pb1 98.18(10) 3_755 4_556 ?
F1 Mg2 Pb1 98.18(10) . 2_654 ?
F1 Mg2 Mg1 40.44(10) 3_755 3_755 ?
F1 Mg2 Mg1 138.92(14) . 3_755 ?
F1 Mg2 Si1 78.99(12) 3_755 4_556 ?
F1 Mg2 Si1 101.69(13) 3_755 2_654 ?
F1 Mg2 Si1 78.99(12) . 2_654 ?
F1 Mg2 Si1 101.69(13) . 4_556 ?
F1 Mg2 O4 82.21(16) 3_755 7_565 ?
F1 Mg2 O4 97.24(16) . 7_565 ?
F1 Mg2 O4 97.24(16) 3_755 5_766 ?
F1 Mg2 O4 82.21(16) . 5_766 ?
F1 Mg2 O2 92.26(16) 3_755 4_556 ?
F1 Mg2 O2 88.25(17) 3_755 2_654 ?
F1 Mg2 O2 88.25(17) . 4_556 ?
F1 Mg2 O2 92.26(16) . 2_654 ?
F1 Mg2 F1 179.2(3) . 3_755 ?
O4 Si1 Mg2 148.17(16) . 2_655 ?
O4 Si1 O1 102.0(2) . . ?
O4 Si1 O2 115.9(2) . . ?
O4 Si1 O3 113.0(2) . . ?
O1 Si1 Mg2 83.71(19) . 2_655 ?
O2 Si1 Mg2 34.06(14) . 2_655 ?
O2 Si1 O1 104.7(2) . . ?
O2 Si1 O3 110.2(2) . . ?
O3 Si1 Mg2 93.50(16) . 2_655 ?
O3 Si1 O1 110.18(17) . . ?
Mg1 O4 Pb1 95.65(15) . 8_765 ?
Mg1 O4 Mg2 93.43(16) . 5_766 ?
Mg1 O4 Mg2 93.43(16) . 7_566 ?
Mg2 O4 Pb1 94.55(16) 7_566 8_765 ?
Mg2 O4 Pb1 94.55(16) 5_766 8_765 ?
Mg2 O4 Mg2 0.00(10) 5_766 7_566 ?
Si1 O4 Pb1 109.19(19) . 8_765 ?
Si1 O4 Mg1 131.4(2) . . ?
Si1 O4 Mg2 124.1(2) . 7_566 ?
Si1 O4 Mg2 124.1(2) . 5_766 ?
Si1 O1 Si1 136.0(4) . 3_656 ?
Mg2 O2 Pb1 105.64(18) 2_655 . ?
Si1 O2 Pb1 129.9(2) . . ?
Si1 O2 Mg2 120.2(2) . 2_655 ?
Mg1 O3 Pb1 104.50(18) 3_756 2_655 ?
Si1 O3 Pb1 118.4(2) . 2_655 ?
Si1 O3 Mg1 129.1(2) . 3_756 ?
Mg1 F1 Pb1 115.81(16) . . ?
Mg1 F1 Mg2 99.07(16) . 3_755 ?
Mg1 F1 Mg2 99.07(16) . . ?
Mg2 F1 Pb1 117.10(18) 3_755 . ?
Mg2 F1 Pb1 117.10(18) . . ?
Mg2 F1 Mg2 0.00(15) 3_755 . ?

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
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Mg2 Si1 O4 Pb1 87.4(3) 2_655 . . 8_765 ?
Mg2 Si1 O4 Mg1 -29.1(5) 2_655 . . . ?
Mg2 Si1 O4 Mg2 -162.90(15) 2_655 . . 7_566 ?
Mg2 Si1 O4 Mg2 -162.90(15) 2_655 . . 5_766 ?
Mg2 Si1 O1 Si1 0.001(0) 2_655 . . 3_656 ?
Mg2 Si1 O2 Pb1 -153.1(5) 2_655 . . . ?
Mg2 Si1 O3 Pb1 -47.0(2) 2_655 . . 2_655 ?
Mg2 Si1 O3 Mg1 169.2(3) 2_655 . . 3_756 ?
O4 Si1 O1 Si1 148.26(17) . . . 3_656 ?
O4 Si1 O2 Pb1 41.6(4) . . . . ?
O4 Si1 O2 Mg2 -165.3(2) . . . 2_655 ?
O4 Si1 O3 Pb1 151.1(2) . . . 2_655 ?
O4 Si1 O3 Mg1 7.3(4) . . . 3_756 ?
O1 Si1 O4 Pb1 -10.1(2) . . . 8_765 ?
O1 Si1 O4 Mg1 -126.6(3) . . . . ?
O1 Si1 O4 Mg2 99.6(3) . . . 7_566 ?
O1 Si1 O4 Mg2 99.6(3) . . . 5_766 ?
O1 Si1 O2 Pb1 153.1(3) . . . . ?
O1 Si1 O2 Mg2 -53.8(3) . . . 2_655 ?
O1 Si1 O3 Pb1 37.6(3) . . . 2_655 ?
O1 Si1 O3 Mg1 -106.2(3) . . . 3_756 ?
O2 Si1 O4 Pb1 103.0(2) . . . 8_765 ?
O2 Si1 O4 Mg1 -13.5(4) . . . . ?
O2 Si1 O4 Mg2 -147.3(2) . . . 7_566 ?
O2 Si1 O4 Mg2 -147.3(2) . . . 5_766 ?
O2 Si1 O1 Si1 27.04(16) . . . 3_656 ?
O2 Si1 O3 Pb1 -77.4(3) . . . 2_655 ?
O2 Si1 O3 Mg1 138.8(3) . . . 3_756 ?
O3 Si1 O4 Pb1 -128.4(2) . . . 8_765 ?
O3 Si1 O4 Mg1 115.1(3) . . . . ?
O3 Si1 O4 Mg2 -18.7(4) . . . 7_566 ?
O3 Si1 O4 Mg2 -18.7(4) . . . 5_766 ?
O3 Si1 O1 Si1 -91.42(19) . . . 3_656 ?
O3 Si1 O2 Pb1 -88.4(3) . . . . ?
O3 Si1 O2 Mg2 64.7(3) . . . 2_655 ?

_olex2_submission_special_instructions 'No special instructions were received'
