# Electronic Supplementary Material (ESI) for CrystEngComm.
# This journal is © The Royal Society of Chemistry 2024

####################################################################### 
# 
# 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_K2Mn(PO3F)F3
_database_code_depnum_ccdc_archive 'CCDC 2283849'
loop_
_audit_author_name
_audit_author_address
'Qi Luo'
;Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences
China
;
_audit_update_record             
;
2023-07-24 deposited with the CCDC.	2024-04-24 downloaded from the CCDC.
;
_audit_creation_date             2023-05-06
_audit_creation_method           
;
Olex2 1.3-alpha
(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         'F4 K2 Mn O3 P'
_chemical_formula_sum            'F4 K2 Mn O3 P'
_chemical_formula_weight         288.11
_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 0.0580 0.0400 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
K K 0.3780 0.8300 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mn Mn -0.0150 2.2310 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0390 0.0240 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2540 0.3330 '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      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   6.7599(2)
_cell_length_b                   7.3998(2)
_cell_length_c                   13.9289(4)
_cell_angle_alpha                90
_cell_angle_beta                 112.268(2)
_cell_angle_gamma                90
_cell_volume                     644.79(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    6165
_cell_measurement_temperature    100.01(10)
_cell_measurement_theta_max      60.4210
_cell_measurement_theta_min      5.2150
_shelx_estimated_absorpt_T_max   0.227
_shelx_estimated_absorpt_T_min   0.034
_exptl_absorpt_coefficient_mu    21.124
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.10204
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.93a (Rigaku Oxford Diffraction, 2020)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear reddish brown'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   reddish
_exptl_crystal_colour_primary    brown
_exptl_crystal_density_diffrn    2.968
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             552
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0476
_diffrn_reflns_av_unetI/netI     0.0287
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.978
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            7040
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.978
_diffrn_reflns_theta_full        53.543
_diffrn_reflns_theta_max         60.525
_diffrn_reflns_theta_min         5.969
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.01(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.978
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω   -148.00 -79.00   0.50    0.05    --  -74.99-125.00-120.00  138
  2  ω      0.00  72.00   0.50    0.05    --   73.11 -39.00 152.00  144
  3  ω     57.00 129.00   0.50    0.05    --   73.11  57.00  30.00  144
  4  ω     59.00 147.00   0.50    0.05    --   73.11  39.00 -53.00  176
  5  ω    -74.00  14.00   0.50    0.05    --   -0.94 -39.00 152.00  176
  6  ω   -148.00 -79.00   0.50    0.05    --  -74.99-125.00 -90.00  138
  7  ω   -148.00 -60.00   0.50    0.05    --  -74.99 -39.00 152.00  176
  8  ω   -112.00 -20.00   0.50    0.05    --  -74.99 125.00 -30.00  184
  9  ω    -72.00  -1.00   0.50    0.05    --  -74.99  39.00 -53.00  142
 10  ω    -71.00  -1.00   0.50    0.05    --  -74.99  38.00 150.00  140
 11  ω    -90.00   1.00   0.50    0.05    --  -74.99  19.00 150.00  182
 12  ω    -15.00  73.00   0.50    0.05    --   -0.94  38.00   0.00  176
 13  ω    -15.00  73.00   0.50    0.05    --   -0.94  39.00 -53.00  176
 14  ω    -17.00  72.00   0.50    0.05    --   -0.94  57.00-120.00  178
 15  ω    -16.00  75.00   0.50    0.05    --   -0.94  19.00 150.00  182
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'ROD, Synergy Custom system, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0826310000
_diffrn_orient_matrix_UB_12      0.0577764000
_diffrn_orient_matrix_UB_13      0.0830707000
_diffrn_orient_matrix_UB_21      0.1757111000
_diffrn_orient_matrix_UB_22      0.0678576000
_diffrn_orient_matrix_UB_23      0.0400242000
_diffrn_orient_matrix_UB_31      -0.0454571000
_diffrn_orient_matrix_UB_32      0.1575232000
_diffrn_orient_matrix_UB_33      -0.0478217000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Ga K\a'
_diffrn_radiation_wavelength     1.3405
_diffrn_source                   'micro-focus metaljet'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                1377
_reflns_number_total             1443
_reflns_odcompleteness_completeness 100.00
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     56.82
_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       'CrysAlisPro 1.171.41.93a (Rigaku OD, 2020)'
_computing_data_collection       'CrysAlisPro 1.171.41.93a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.41.93a (Rigaku OD, 2020)'
_computing_molecular_graphics    'Olex2 1.3-alpha (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3-alpha (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT  (Sheldrick, 2015)'
_refine_diff_density_max         1.726
_refine_diff_density_min         -1.295
_refine_diff_density_rms         0.249
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.088
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     103
_refine_ls_number_reflns         1443
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0410
_refine_ls_R_factor_gt           0.0398
_refine_ls_restrained_S_all      1.088
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0729P)²+1.1000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1081
_refine_ls_wR_factor_ref         0.1093
_refine_special_details          ?
_olex2_refinement_description    
;
;
_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
Mn1 Mn 0.000000 -0.500000 -0.500000 0.0046(2) Uani 1 2 d S . P . .
Mn2 Mn 0.000000 0.000000 -0.500000 0.0045(2) Uani 1 2 d S . P . .
P1 P 0.32586(13) -0.24613(10) -0.33114(6) 0.0051(2) Uani 1 1 d . . . . .
F1 F 0.1223(3) -0.7486(2) -0.44157(16) 0.0074(4) Uani 1 1 d . . . . .
F2 F -0.1064(3) -0.0235(2) -0.39584(13) 0.0083(4) Uani 1 1 d . . . . .
F3 F -0.2234(3) -0.5355(3) -0.45889(13) 0.0081(4) Uani 1 1 d . . . . .
F4 F 0.5427(3) -0.3330(3) -0.32721(16) 0.0209(5) Uani 1 1 d . . . . .
O1 O 0.2773(3) -0.1025(3) -0.41710(16) 0.0074(4) Uani 1 1 d . . . . .
O2 O 0.1538(3) -0.3935(3) -0.36029(16) 0.0070(4) Uani 1 1 d . . . . .
O3 O 0.3538(3) -0.1637(3) -0.22798(16) 0.0083(5) Uani 1 1 d . . . . .
K1 K 0.04872(11) -0.71684(10) -0.27218(5) 0.0086(2) Uani 1 1 d . . . . .
K2 K 0.47616(11) -0.76602(9) -0.47130(6) 0.0084(2) 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
Mn1 F1 2.0546(17) 3_544 ?
Mn1 F1 2.0545(17) . ?
Mn1 F3 1.8256(18) . ?
Mn1 F3 1.8256(17) 3_544 ?
Mn1 O2 1.989(2) 3_544 ?
Mn1 O2 1.989(2) . ?
Mn1 K1 3.4585(7) 3_544 ?
Mn1 K1 3.4585(7) . ?
Mn1 K2 3.6634(7) . ?
Mn1 K2 3.6633(7) 3_544 ?
Mn2 F1 2.0725(17) 3_544 ?
Mn2 F1 2.0725(17) 1_565 ?
Mn2 F2 1.8557(18) 3_554 ?
Mn2 F2 1.8558(18) . ?
Mn2 O1 1.945(2) . ?
Mn2 O1 1.945(2) 3_554 ?
Mn2 K1 3.7117(7) 3_544 ?
Mn2 K1 3.7117(7) 1_565 ?
Mn2 K2 3.5416(7) 3_544 ?
Mn2 K2 4.0951(7) 1_465 ?
Mn2 K2 3.5416(7) 1_565 ?
Mn2 K2 4.0951(7) 3_644 ?
P1 F4 1.582(2) . ?
P1 O1 1.541(2) . ?
P1 O2 1.532(2) . ?
P1 O3 1.506(2) . ?
P1 K1 3.3603(11) 2_554 ?
P1 K2 3.4874(11) 3_644 ?
F1 K1 2.600(2) . ?
F1 K2 2.581(2) . ?
F2 K1 2.6427(19) 2_554 ?
F2 K1 2.8013(19) 1_565 ?
F2 K2 2.9311(19) 3_544 ?
F2 K2 3.2326(19) 1_465 ?
F3 K1 2.8850(19) . ?
F3 K2 2.754(2) 3_544 ?
F3 K2 2.6075(19) 1_455 ?
F4 K1 2.718(2) 2_654 ?
F4 K2 2.856(2) 3_644 ?
O1 K2 2.847(2) 3_644 ?
O1 K2 3.057(2) 1_565 ?
O2 K1 2.898(2) . ?
O2 K1 2.984(2) 2_554 ?
O3 K1 2.750(2) 2_554 ?
O3 K2 2.680(2) 2_654 ?
K1 K2 3.8301(10) 1_455 ?
K2 K2 3.5958(13) 3_634 ?

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
F1 Mn1 F1 180.0 . 3_544 ?
F1 Mn1 K1 131.54(6) 3_544 . ?
F1 Mn1 K1 131.54(6) . 3_544 ?
F1 Mn1 K1 48.46(6) . . ?
F1 Mn1 K1 48.46(6) 3_544 3_544 ?
F1 Mn1 K2 43.16(6) 3_544 3_544 ?
F1 Mn1 K2 43.16(6) . . ?
F1 Mn1 K2 136.84(6) . 3_544 ?
F1 Mn1 K2 136.84(6) 3_544 . ?
F3 Mn1 F1 89.80(8) . 3_544 ?
F3 Mn1 F1 89.80(8) 3_544 . ?
F3 Mn1 F1 90.20(8) . . ?
F3 Mn1 F1 90.20(8) 3_544 3_544 ?
F3 Mn1 F3 180.0 3_544 . ?
F3 Mn1 O2 93.55(8) 3_544 . ?
F3 Mn1 O2 86.45(8) 3_544 3_544 ?
F3 Mn1 O2 86.45(8) . . ?
F3 Mn1 O2 93.56(8) . 3_544 ?
F3 Mn1 K1 56.50(6) . . ?
F3 Mn1 K1 123.50(6) . 3_544 ?
F3 Mn1 K1 123.50(6) 3_544 . ?
F3 Mn1 K1 56.50(6) 3_544 3_544 ?
F3 Mn1 K2 46.72(6) . 3_544 ?
F3 Mn1 K2 46.72(6) 3_544 . ?
F3 Mn1 K2 133.28(6) . . ?
F3 Mn1 K2 133.28(6) 3_544 3_544 ?
O2 Mn1 F1 90.88(8) 3_544 . ?
O2 Mn1 F1 89.12(8) 3_544 3_544 ?
O2 Mn1 F1 89.12(8) . . ?
O2 Mn1 F1 90.88(8) . 3_544 ?
O2 Mn1 O2 180.0 3_544 . ?
O2 Mn1 K1 56.87(6) . . ?
O2 Mn1 K1 123.13(6) . 3_544 ?
O2 Mn1 K1 123.13(6) 3_544 . ?
O2 Mn1 K1 56.87(6) 3_544 3_544 ?
O2 Mn1 K2 89.67(6) 3_544 3_544 ?
O2 Mn1 K2 90.33(6) . 3_544 ?
O2 Mn1 K2 90.33(6) 3_544 . ?
O2 Mn1 K2 89.67(6) . . ?
K1 Mn1 K1 180.00(2) . 3_544 ?
K1 Mn1 K2 82.896(16) 3_544 3_544 ?
K1 Mn1 K2 97.103(16) 3_544 . ?
K1 Mn1 K2 82.897(16) . . ?
K1 Mn1 K2 97.103(16) . 3_544 ?
K2 Mn1 K2 179.999(17) 3_544 . ?
F1 Mn2 F1 180.00(12) 1_565 3_544 ?
F1 Mn2 K1 137.33(6) 3_544 1_565 ?
F1 Mn2 K1 137.33(6) 1_565 3_544 ?
F1 Mn2 K1 42.67(6) 3_544 3_544 ?
F1 Mn2 K1 42.67(6) 1_565 1_565 ?
F1 Mn2 K2 79.23(6) 1_565 1_465 ?
F1 Mn2 K2 133.89(6) 1_565 3_544 ?
F1 Mn2 K2 133.89(6) 3_544 1_565 ?
F1 Mn2 K2 46.11(6) 1_565 1_565 ?
F1 Mn2 K2 100.77(6) 1_565 3_644 ?
F1 Mn2 K2 100.77(6) 3_544 1_465 ?
F1 Mn2 K2 79.23(6) 3_544 3_644 ?
F1 Mn2 K2 46.11(6) 3_544 3_544 ?
F2 Mn2 F1 90.44(8) 3_554 1_565 ?
F2 Mn2 F1 89.56(8) 3_554 3_544 ?
F2 Mn2 F1 89.55(8) . 1_565 ?
F2 Mn2 F1 90.45(8) . 3_544 ?
F2 Mn2 F2 180.0 3_554 . ?
F2 Mn2 O1 94.08(8) . . ?
F2 Mn2 O1 85.92(8) 3_554 . ?
F2 Mn2 O1 85.92(8) . 3_554 ?
F2 Mn2 O1 94.08(8) 3_554 3_554 ?
F2 Mn2 K1 47.13(6) . 1_565 ?
F2 Mn2 K1 47.13(6) 3_554 3_544 ?
F2 Mn2 K1 132.87(6) . 3_544 ?
F2 Mn2 K1 132.87(6) 3_554 1_565 ?
F2 Mn2 K2 124.24(6) 3_554 3_544 ?
F2 Mn2 K2 124.24(6) . 1_565 ?
F2 Mn2 K2 129.97(6) . 3_644 ?
F2 Mn2 K2 55.76(6) . 3_544 ?
F2 Mn2 K2 55.76(6) 3_554 1_565 ?
F2 Mn2 K2 50.03(6) 3_554 3_644 ?
F2 Mn2 K2 129.97(6) 3_554 1_465 ?
F2 Mn2 K2 50.03(6) . 1_465 ?
O1 Mn2 F1 91.98(8) 3_554 1_565 ?
O1 Mn2 F1 88.02(8) 3_554 3_544 ?
O1 Mn2 F1 88.02(8) . 1_565 ?
O1 Mn2 F1 91.98(8) . 3_544 ?
O1 Mn2 O1 180.0 3_554 . ?
O1 Mn2 K1 92.34(6) . 3_544 ?
O1 Mn2 K1 87.66(6) 3_554 3_544 ?
O1 Mn2 K1 87.66(6) . 1_565 ?
O1 Mn2 K1 92.34(6) 3_554 1_565 ?
O1 Mn2 K2 120.44(6) 3_554 1_565 ?
O1 Mn2 K2 38.60(6) 3_554 1_465 ?
O1 Mn2 K2 141.40(6) . 1_465 ?
O1 Mn2 K2 59.56(6) . 1_565 ?
O1 Mn2 K2 120.44(6) . 3_544 ?
O1 Mn2 K2 141.40(6) 3_554 3_644 ?
O1 Mn2 K2 38.60(6) . 3_644 ?
O1 Mn2 K2 59.56(6) 3_554 3_544 ?
K1 Mn2 K1 180.0 1_565 3_544 ?
K1 Mn2 K2 58.515(14) 3_544 3_644 ?
K1 Mn2 K2 121.485(14) 1_565 3_644 ?
K1 Mn2 K2 121.485(14) 3_544 1_465 ?
K1 Mn2 K2 58.515(14) 1_565 1_465 ?
K2 Mn2 K1 81.090(16) 3_544 3_544 ?
K2 Mn2 K1 98.910(16) 1_565 3_544 ?
K2 Mn2 K1 98.910(16) 3_544 1_565 ?
K2 Mn2 K1 81.090(16) 1_565 1_565 ?
K2 Mn2 K2 180.00(2) 3_644 1_465 ?
K2 Mn2 K2 124.390(18) 1_565 1_465 ?
K2 Mn2 K2 55.610(18) 1_565 3_644 ?
K2 Mn2 K2 124.390(18) 3_544 3_644 ?
K2 Mn2 K2 180.0 3_544 1_565 ?
K2 Mn2 K2 55.610(18) 3_544 1_465 ?
F4 P1 K1 148.19(9) . 2_554 ?
F4 P1 K2 53.87(8) . 3_644 ?
O1 P1 F4 103.24(12) . . ?
O1 P1 K1 108.37(9) . 2_554 ?
O1 P1 K2 53.23(8) . 3_644 ?
O2 P1 F4 108.68(12) . . ?
O2 P1 O1 111.61(12) . . ?
O2 P1 K1 62.61(9) . 2_554 ?
O2 P1 K2 106.80(9) . 3_644 ?
O3 P1 F4 110.62(13) . . ?
O3 P1 O1 112.02(12) . . ?
O3 P1 O2 110.43(13) . . ?
O3 P1 K1 53.66(9) . 2_554 ?
O3 P1 K2 142.73(10) . 3_644 ?
K1 P1 K2 155.93(3) 2_554 3_644 ?
Mn1 F1 Mn2 127.40(10) . 1_545 ?
Mn1 F1 K1 95.27(7) . . ?
Mn1 F1 K2 103.85(8) . . ?
Mn2 F1 K1 104.63(8) 1_545 . ?
Mn2 F1 K2 98.53(7) 1_545 . ?
K2 F1 K1 131.13(8) . . ?
Mn2 F2 K1 140.55(9) . 2_554 ?
Mn2 F2 K1 103.83(8) . 1_565 ?
Mn2 F2 K2 92.67(7) . 3_544 ?
Mn2 F2 K2 103.87(7) . 1_465 ?
K1 F2 K1 89.93(5) 2_554 1_565 ?
K1 F2 K2 148.17(7) 1_565 3_544 ?
K1 F2 K2 94.35(6) 2_554 3_544 ?
K1 F2 K2 115.14(6) 2_554 1_465 ?
K1 F2 K2 78.45(5) 1_565 1_465 ?
K2 F2 K2 71.19(4) 3_544 1_465 ?
Mn1 F3 K1 91.66(7) . . ?
Mn1 F3 K2 104.43(8) . 3_544 ?
Mn1 F3 K2 142.13(10) . 1_455 ?
K2 F3 K1 88.28(6) 1_455 . ?
K2 F3 K1 142.52(7) 3_544 . ?
K2 F3 K2 98.23(6) 1_455 3_544 ?
P1 F4 K1 129.68(13) . 2_654 ?
P1 F4 K2 99.56(10) . 3_644 ?
K1 F4 K2 94.45(7) 2_654 3_644 ?
Mn2 O1 K2 87.18(7) . 1_565 ?
Mn2 O1 K2 116.17(9) . 3_644 ?
P1 O1 Mn2 127.17(13) . . ?
P1 O1 K2 101.08(10) . 3_644 ?
P1 O1 K2 140.33(12) . 1_565 ?
K2 O1 K2 74.95(5) 3_644 1_565 ?
Mn1 O2 K1 88.05(7) . . ?
Mn1 O2 K1 125.90(9) . 2_554 ?
P1 O2 Mn1 127.16(13) . . ?
P1 O2 K1 139.34(11) . . ?
P1 O2 K1 90.26(10) . 2_554 ?
K1 O2 K1 81.73(6) . 2_554 ?
P1 O3 K1 100.17(11) . 2_554 ?
P1 O3 K2 136.34(13) . 2_654 ?
K2 O3 K1 89.71(7) 2_654 2_554 ?
Mn1 K1 Mn2 62.012(11) . 1_545 ?
Mn1 K1 K2 70.178(16) . 1_455 ?
Mn2 K1 K2 65.753(16) 1_545 1_455 ?
P1 K1 Mn1 126.70(2) 2_544 . ?
P1 K1 Mn2 119.51(2) 2_544 1_545 ?
P1 K1 K2 65.50(2) 2_544 1_455 ?
F1 K1 Mn1 36.27(4) . . ?
F1 K1 Mn2 32.70(4) . 1_545 ?
F1 K1 P1 144.80(5) . 2_544 ?
F1 K1 F2 61.60(5) . 1_545 ?
F1 K1 F2 146.92(6) . 2_544 ?
F1 K1 F3 59.99(6) . . ?
F1 K1 F4 85.79(7) . 2_644 ?
F1 K1 O2 61.87(6) . . ?
F1 K1 O2 144.29(6) . 2_544 ?
F1 K1 O3 122.91(7) . 2_544 ?
F1 K1 K2 79.78(5) . 1_455 ?
F2 K1 Mn1 85.89(4) 1_545 . ?
F2 K1 Mn1 119.48(5) 2_544 . ?
F2 K1 Mn2 176.57(5) 2_544 1_545 ?
F2 K1 Mn2 29.04(4) 1_545 1_545 ?
F2 K1 P1 62.48(4) 2_544 2_544 ?
F2 K1 P1 92.51(4) 1_545 2_544 ?
F2 K1 F2 151.44(5) 2_544 1_545 ?
F2 K1 F3 81.97(5) 1_545 . ?
F2 K1 F3 112.10(6) 2_544 . ?
F2 K1 F4 86.54(6) 2_544 2_644 ?
F2 K1 O2 87.16(6) 2_544 . ?
F2 K1 O2 68.76(6) 2_544 2_544 ?
F2 K1 O2 82.69(6) 1_545 2_544 ?
F2 K1 O2 120.21(6) 1_545 . ?
F2 K1 O3 74.69(6) 2_544 2_544 ?
F2 K1 K2 55.78(4) 1_545 1_455 ?
F2 K1 K2 117.53(5) 2_544 1_455 ?
F3 K1 Mn1 31.85(4) . . ?
F3 K1 Mn2 70.87(4) . 1_545 ?
F3 K1 P1 95.14(4) . 2_544 ?
F3 K1 O2 53.77(6) . . ?
F3 K1 O2 118.43(6) . 2_544 ?
F3 K1 K2 42.88(4) . 1_455 ?
F4 K1 Mn1 109.82(5) 2_644 . ?
F4 K1 Mn2 90.04(5) 2_644 1_545 ?
F4 K1 P1 123.15(5) 2_644 2_544 ?
F4 K1 F2 97.38(6) 2_644 1_545 ?
F4 K1 F3 141.63(7) 2_644 . ?
F4 K1 O2 99.35(6) 2_644 2_544 ?
F4 K1 O2 96.42(7) 2_644 . ?
F4 K1 O3 149.28(7) 2_644 2_544 ?
F4 K1 K2 153.11(6) 2_644 1_455 ?
O2 K1 Mn1 149.79(4) 2_544 . ?
O2 K1 Mn1 35.08(4) . . ?
O2 K1 Mn2 93.48(5) . 1_545 ?
O2 K1 Mn2 111.63(5) 2_544 1_545 ?
O2 K1 P1 125.46(5) . 2_544 ?
O2 K1 P1 27.13(4) 2_544 2_544 ?
O2 K1 O2 150.14(7) . 2_544 ?
O2 K1 K2 96.57(5) . 1_455 ?
O2 K1 K2 80.31(4) 2_544 1_455 ?
O3 K1 Mn1 100.61(5) 2_544 . ?
O3 K1 Mn2 108.31(5) 2_544 1_545 ?
O3 K1 P1 26.17(5) 2_544 2_544 ?
O3 K1 F2 88.65(6) 2_544 1_545 ?
O3 K1 F3 68.97(6) 2_544 . ?
O3 K1 O2 106.48(7) 2_544 . ?
O3 K1 O2 51.40(6) 2_544 2_544 ?
O3 K1 K2 44.40(5) 2_544 1_455 ?
Mn2 K2 K2 70.02(2) 1_545 3_634 ?
P1 K2 Mn2 121.85(2) 3_644 1_545 ?
P1 K2 K2 75.87(3) 3_644 3_634 ?
F1 K2 Mn2 35.36(4) . 1_545 ?
F1 K2 P1 141.40(5) . 3_644 ?
F1 K2 F2 60.48(6) . 3_544 ?
F1 K2 F2 136.48(6) . 1_645 ?
F1 K2 F3 134.65(6) . 1_655 ?
F1 K2 F3 61.80(6) . 3_544 ?
F1 K2 F4 116.49(7) . 3_644 ?
F1 K2 O1 151.00(7) . 3_644 ?
F1 K2 O1 58.66(6) . 1_545 ?
F1 K2 O3 83.09(7) . 2_644 ?
F1 K2 K2 104.49(5) . 3_634 ?
F2 K2 Mn2 113.11(4) 1_645 1_545 ?
F2 K2 Mn2 31.56(4) 3_544 1_545 ?
F2 K2 P1 90.34(4) 3_544 3_644 ?
F2 K2 P1 73.92(4) 1_645 3_644 ?
F2 K2 F2 108.81(4) 3_544 1_645 ?
F2 K2 O1 51.22(5) 3_544 1_545 ?
F2 K2 K2 50.50(4) 1_645 3_634 ?
F2 K2 K2 58.32(4) 3_544 3_634 ?
F3 K2 Mn2 168.26(5) 1_655 1_545 ?
F3 K2 Mn2 86.59(4) 3_544 1_545 ?
F3 K2 P1 60.87(4) 1_655 3_644 ?
F3 K2 P1 94.18(4) 3_544 3_644 ?
F3 K2 F2 78.59(6) 1_655 1_645 ?
F3 K2 F2 86.62(5) 3_544 3_544 ?
F3 K2 F2 160.17(6) 3_544 1_645 ?
F3 K2 F2 147.77(6) 1_655 3_544 ?
F3 K2 F3 81.77(6) 1_655 3_544 ?
F3 K2 F4 68.95(6) 1_655 3_644 ?
F3 K2 F4 69.80(6) 3_544 3_644 ?
F3 K2 O1 119.83(6) 3_544 3_644 ?
F3 K2 O1 118.36(6) 3_544 1_545 ?
F3 K2 O1 157.05(6) 1_655 1_545 ?
F3 K2 O1 69.96(6) 1_655 3_644 ?
F3 K2 O3 74.27(6) 1_655 2_644 ?
F3 K2 K2 120.77(5) 1_655 3_634 ?
F3 K2 K2 142.90(5) 3_544 3_634 ?
F4 K2 Mn2 108.32(5) 3_644 1_545 ?
F4 K2 P1 26.57(5) 3_644 3_644 ?
F4 K2 F2 100.31(6) 3_644 1_645 ?
F4 K2 F2 78.82(6) 3_644 3_544 ?
F4 K2 O1 126.27(7) 3_644 1_545 ?
F4 K2 K2 90.17(6) 3_644 3_634 ?
O1 K2 Mn2 117.80(5) 3_644 1_545 ?
O1 K2 Mn2 33.26(4) 1_545 1_545 ?
O1 K2 P1 123.51(5) 1_545 3_644 ?
O1 K2 P1 25.69(4) 3_644 3_644 ?
O1 K2 F2 81.43(5) 1_545 1_645 ?
O1 K2 F2 90.53(6) 3_644 3_544 ?
O1 K2 F2 49.95(5) 3_644 1_645 ?
O1 K2 F4 50.84(6) 3_644 3_644 ?
O1 K2 O1 105.05(6) 3_644 1_545 ?
O1 K2 K2 49.87(4) 1_545 3_634 ?
O1 K2 K2 55.18(5) 3_644 3_634 ?
O3 K2 Mn2 105.66(5) 2_644 1_545 ?
O3 K2 P1 131.89(6) 2_644 3_644 ?
O3 K2 F2 81.42(6) 2_644 1_645 ?
O3 K2 F2 137.10(7) 2_644 3_544 ?
O3 K2 F3 95.86(6) 2_644 3_544 ?
O3 K2 F4 141.92(7) 2_644 3_644 ?
O3 K2 O1 91.75(7) 2_644 1_545 ?
O3 K2 O1 123.51(7) 2_644 3_644 ?
O3 K2 K2 117.58(6) 2_644 3_634 ?

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
F1 Mn1 F3 K1 -142.90(7) 3_544 . . . ?
F1 Mn1 F3 K1 37.10(7) . . . . ?
F1 Mn1 F3 K2 2.91(8) 3_544 . . 3_544 ?
F1 Mn1 F3 K2 -177.08(8) . . . 3_544 ?
F1 Mn1 F3 K2 127.78(15) 3_544 . . 1_455 ?
F1 Mn1 F3 K2 -52.22(15) . . . 1_455 ?
F1 Mn2 F2 K1 -112.29(14) 1_565 . . 2_554 ?
F1 Mn2 F2 K1 175.00(8) 3_544 . . 1_565 ?
F1 Mn2 F2 K1 67.71(14) 3_544 . . 2_554 ?
F1 Mn2 F2 K1 -5.00(8) 1_565 . . 1_565 ?
F1 Mn2 F2 K2 147.55(7) 1_565 . . 3_544 ?
F1 Mn2 F2 K2 -32.45(7) 3_544 . . 3_544 ?
F1 Mn2 F2 K2 76.28(7) 1_565 . . 1_465 ?
F1 Mn2 F2 K2 -103.72(7) 3_544 . . 1_465 ?
F4 P1 O1 Mn2 156.70(16) . . . . ?
F4 P1 O1 K2 -58.4(2) . . . 1_565 ?
F4 P1 O1 K2 21.27(12) . . . 3_644 ?
F4 P1 O2 Mn1 -75.69(17) . . . . ?
F4 P1 O2 K1 69.1(2) . . . . ?
F4 P1 O2 K1 146.64(10) . . . 2_554 ?
F4 P1 O3 K1 -148.26(11) . . . 2_554 ?
F4 P1 O3 K2 -47.9(2) . . . 2_654 ?
O1 Mn2 F2 K1 155.69(15) 3_554 . . 2_554 ?
O1 Mn2 F2 K1 -97.01(8) 3_554 . . 1_565 ?
O1 Mn2 F2 K1 82.99(8) . . . 1_565 ?
O1 Mn2 F2 K1 -24.31(15) . . . 2_554 ?
O1 Mn2 F2 K2 -15.74(8) 3_554 . . 1_465 ?
O1 Mn2 F2 K2 164.26(8) . . . 1_465 ?
O1 Mn2 F2 K2 -124.46(7) . . . 3_544 ?
O1 Mn2 F2 K2 55.54(7) 3_554 . . 3_544 ?
O1 P1 F4 K1 82.91(16) . . . 2_654 ?
O1 P1 F4 K2 -21.09(12) . . . 3_644 ?
O1 P1 O2 Mn1 37.5(2) . . . . ?
O1 P1 O2 K1 -177.73(16) . . . . ?
O1 P1 O2 K1 -100.17(11) . . . 2_554 ?
O1 P1 O3 K1 97.15(12) . . . 2_554 ?
O1 P1 O3 K2 -162.44(15) . . . 2_654 ?
O2 Mn1 F3 K1 128.00(7) 3_544 . . . ?
O2 Mn1 F3 K1 -52.00(7) . . . . ?
O2 Mn1 F3 K2 -141.33(15) . . . 1_455 ?
O2 Mn1 F3 K2 38.67(15) 3_544 . . 1_455 ?
O2 Mn1 F3 K2 -86.19(8) 3_544 . . 3_544 ?
O2 Mn1 F3 K2 93.81(8) . . . 3_544 ?
O2 P1 F4 K1 -158.48(14) . . . 2_654 ?
O2 P1 F4 K2 97.52(11) . . . 3_644 ?
O2 P1 O1 Mn2 40.1(2) . . . . ?
O2 P1 O1 K2 -175.00(16) . . . 1_565 ?
O2 P1 O1 K2 -95.28(12) . . . 3_644 ?
O2 P1 O3 K1 -27.91(13) . . . 2_554 ?
O2 P1 O3 K2 72.5(2) . . . 2_654 ?
O3 P1 F4 K1 -37.08(19) . . . 2_654 ?
O3 P1 F4 K2 -141.08(11) . . . 3_644 ?
O3 P1 O1 Mn2 -84.27(18) . . . . ?
O3 P1 O1 K2 60.6(2) . . . 1_565 ?
O3 P1 O1 K2 140.30(11) . . . 3_644 ?
O3 P1 O2 Mn1 162.81(15) . . . . ?
O3 P1 O2 K1 -52.4(2) . . . . ?
O3 P1 O2 K1 25.13(12) . . . 2_554 ?
K1 Mn1 F3 K1 180.000(0) 3_544 . . . ?
K1 Mn1 F3 K2 -34.19(9) 3_544 . . 3_544 ?
K1 Mn1 F3 K2 145.81(9) . . . 3_544 ?
K1 Mn1 F3 K2 -89.32(15) . . . 1_455 ?
K1 Mn1 F3 K2 90.68(15) 3_544 . . 1_455 ?
K1 Mn2 F2 K1 72.71(15) 3_544 . . 2_554 ?
K1 Mn2 F2 K1 180.0 3_544 . . 1_565 ?
K1 Mn2 F2 K1 -107.29(15) 1_565 . . 2_554 ?
K1 Mn2 F2 K2 81.28(7) 1_565 . . 1_465 ?
K1 Mn2 F2 K2 -27.45(9) 3_544 . . 3_544 ?
K1 Mn2 F2 K2 -98.72(7) 3_544 . . 1_465 ?
K1 Mn2 F2 K2 152.55(9) 1_565 . . 3_544 ?
K1 P1 F4 K1 -90.6(2) 2_554 . . 2_654 ?
K1 P1 F4 K2 165.41(10) 2_554 . . 3_644 ?
K1 P1 O1 Mn2 -26.90(17) 2_554 . . . ?
K1 P1 O1 K2 117.95(16) 2_554 . . 1_565 ?
K1 P1 O1 K2 -162.33(4) 2_554 . . 3_644 ?
K1 P1 O2 Mn1 137.67(17) 2_554 . . . ?
K1 P1 O2 K1 -77.56(16) 2_554 . . . ?
K1 P1 O3 K2 100.41(18) 2_554 . . 2_654 ?
K2 Mn1 F3 K1 -145.81(9) 3_544 . . . ?
K2 Mn1 F3 K1 34.19(9) . . . . ?
K2 Mn1 F3 K2 180.000(0) . . . 3_544 ?
K2 Mn1 F3 K2 -55.14(17) . . . 1_455 ?
K2 Mn1 F3 K2 124.86(17) 3_544 . . 1_455 ?
K2 Mn2 F2 K1 98.72(7) 3_644 . . 1_565 ?
K2 Mn2 F2 K1 -81.28(7) 1_465 . . 1_565 ?
K2 Mn2 F2 K1 100.16(14) 3_544 . . 2_554 ?
K2 Mn2 F2 K1 27.45(9) 1_565 . . 1_565 ?
K2 Mn2 F2 K1 -79.84(14) 1_565 . . 2_554 ?
K2 Mn2 F2 K1 -152.55(9) 3_544 . . 1_565 ?
K2 Mn2 F2 K1 -8.57(18) 3_644 . . 2_554 ?
K2 Mn2 F2 K1 171.43(18) 1_465 . . 2_554 ?
K2 Mn2 F2 K2 -71.27(5) 3_544 . . 1_465 ?
K2 Mn2 F2 K2 -108.73(5) 3_644 . . 3_544 ?
K2 Mn2 F2 K2 180.000(0) 3_644 . . 1_465 ?
K2 Mn2 F2 K2 180.0 1_565 . . 3_544 ?
K2 Mn2 F2 K2 108.73(5) 1_565 . . 1_465 ?
K2 Mn2 F2 K2 71.27(5) 1_465 . . 3_544 ?
K2 P1 F4 K1 104.00(16) 3_644 . . 2_654 ?
K2 P1 O1 Mn2 135.43(19) 3_644 . . . ?
K2 P1 O1 K2 -79.72(17) 3_644 . . 1_565 ?
K2 P1 O2 Mn1 -18.93(16) 3_644 . . . ?
K2 P1 O2 K1 -156.60(4) 3_644 . . 2_554 ?
K2 P1 O2 K1 125.84(15) 3_644 . . . ?
K2 P1 O3 K1 154.83(9) 3_644 . . 2_554 ?
K2 P1 O3 K2 -104.77(19) 3_644 . . 2_654 ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 6.999
_oxdiff_exptl_absorpt_empirical_full_min 0.440
####################################################################### 
# 
# 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_Na2Mn
_database_code_depnum_ccdc_archive 'CCDC 2342138'
loop_
_audit_author_name
_audit_author_address
'Qi Luo'
;Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences
China
;
_audit_update_record             
;
2024-03-21 deposited with the CCDC.	2024-04-24 downloaded from the CCDC.
;
_audit_creation_date             2023-11-21
_audit_creation_method           
;
Olex2 1.3-alpha
(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         'F3 H Mn Na2 O4 P'
_chemical_formula_sum            'F3 H Mn Na2 O4 P'
_chemical_formula_weight         253.90
_chemical_melting_point          ?
_chemical_oxdiff_formula         'Na Mn P O F'
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'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mn Mn 0.3368 0.7283 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.0362 0.0249 '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'
P P 0.1023 0.0942 '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      monoclinic
_space_group_IT_number           11
_space_group_name_H-M_alt        'P 1 21/m 1'
_space_group_name_Hall           '-P 2yb'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z'
'-x, -y, -z'
'x, -y-1/2, z'

_cell_length_a                   5.6785(3)
_cell_length_b                   7.7011(3)
_cell_length_c                   6.8171(4)
_cell_angle_alpha                90
_cell_angle_beta                 109.673(6)
_cell_angle_gamma                90
_cell_volume                     280.72(3)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    2086
_cell_measurement_temperature    99.99(10)
_cell_measurement_theta_max      30.0680
_cell_measurement_theta_min      3.1540
_shelx_estimated_absorpt_T_max   0.766
_shelx_estimated_absorpt_T_min   0.603
_exptl_absorpt_coefficient_mu    2.812
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.24043
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.42.91a (Rigaku Oxford Diffraction, 2023)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear yellowish yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   yellowish
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    3.004
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             244
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0307
_diffrn_reflns_av_unetI/netI     0.0273
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.858
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -8
_diffrn_reflns_number            3512
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.858
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.193
_diffrn_reflns_theta_min         3.174
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      99.99(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.858
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -15.00  49.00   0.50    0.07    --   10.12 -99.00 120.00  128
  2  ω    -69.00  14.00   0.50    0.07    --   10.12 -21.00 169.00  166
  3  ω    -60.00 -32.00   0.50    0.07    --   10.12 -77.00  30.00   56
  4  ω      4.00  37.00   0.50    0.07    --   10.12 -77.00  30.00   66
  5  ω    -18.00  41.00   0.50    0.07    --   10.12 -99.00 -90.00  118
  6  ω    -18.00  28.00   0.50    0.07    --   -9.26 -99.00-180.00   92
  7  ω    -26.00  45.00   0.50    0.07    --   -9.26  21.00 -24.00  142
  8  ω    -12.00  29.00   0.50    0.07    --   -9.26 -99.00  30.00   82
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy R, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.1319873000
_diffrn_orient_matrix_UB_12      -0.0088442000
_diffrn_orient_matrix_UB_13      -0.0332722000
_diffrn_orient_matrix_UB_21      -0.0014945000
_diffrn_orient_matrix_UB_22      -0.0231273000
_diffrn_orient_matrix_UB_23      -0.1011621000
_diffrn_orient_matrix_UB_31      0.0135359000
_diffrn_orient_matrix_UB_32      -0.0886706000
_diffrn_orient_matrix_UB_33      0.0296099000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'Mova (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                701
_reflns_number_total             764
_reflns_odcompleteness_completeness 100.00
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_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       'CrysAlisPro 1.171.42.91a (Rigaku OD, 2023)'
_computing_data_collection       'CrysAlisPro 1.171.42.91a (Rigaku OD, 2023)'
_computing_data_reduction        'CrysAlisPro 1.171.42.91a (Rigaku OD, 2023)'
_computing_molecular_graphics    'Olex2 1.3-alpha (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3-alpha (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         0.428
_refine_diff_density_min         -0.674
_refine_diff_density_rms         0.112
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.121
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_parameters     64
_refine_ls_number_reflns         764
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0273
_refine_ls_R_factor_gt           0.0250
_refine_ls_restrained_S_all      1.121
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0232P)²+0.2586P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0580
_refine_ls_wR_factor_ref         0.0593
_refine_special_details          ?
_olex2_refinement_description    
;
;
_atom_sites_solution_hydrogens   difmap
_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
Mn1 Mn 0.500000 0.500000 0.000000 0.00417(14) Uani 1 2 d S . P . .
P1 P 0.50148(14) 0.750000 0.37270(11) 0.00457(17) Uani 1 2 d S T P . .
Na2 Na 1.000000 0.500000 0.500000 0.0094(3) Uani 1 2 d S . P . .
Na1 Na 0.0476(2) 0.250000 0.0888(2) 0.0130(3) Uani 1 2 d S T P . .
F1 F 0.4533(3) 0.250000 0.1045(2) 0.0070(3) Uani 1 2 d S T P . .
F2 F 0.8412(2) 0.49281(14) 0.14743(19) 0.0091(3) Uani 1 1 d . . . . .
O1 O 0.7653(4) 0.750000 0.5209(3) 0.0074(4) Uani 1 2 d S T P . .
O2 O 0.3099(4) 0.750000 0.4984(3) 0.0062(4) Uani 1 2 d S T P . .
O3 O 0.4304(3) 0.58721(17) 0.2347(2) 0.0079(3) Uani 1 1 d . . . . .
H1 H 0.397(8) 0.750000 0.624(6) 0.024(11) Uiso 1 2 d S . P . .


_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
Mn1 Na2 3.6282(3) . ?
Mn1 Na2 3.6282(3) 1_454 ?
Mn1 Na1 3.4232(11) 3_665 ?
Mn1 Na1 3.5322(11) 3_565 ?
Mn1 Na1 3.4232(11) . ?
Mn1 Na1 3.5322(11) 1_655 ?
Mn1 F1 2.1004(6) . ?
Mn1 F1 2.1004(6) 3_665 ?
Mn1 F2 1.8593(13) . ?
Mn1 F2 1.8593(13) 3_665 ?
Mn1 O3 1.8954(13) 3_665 ?
Mn1 O3 1.8954(13) . ?
P1 Na2 3.2893(6) . ?
P1 Na2 3.2893(6) 2_756 ?
P1 O1 1.499(2) . ?
P1 O2 1.595(2) . ?
P1 O3 1.5375(14) 4_575 ?
P1 O3 1.5375(14) . ?
Na2 Na1 3.4856(11) 3_666 ?
Na2 Na1 3.4856(11) 1_655 ?
Na2 F2 2.2658(12) 3_766 ?
Na2 F2 2.2658(12) . ?
Na2 O1 2.3731(12) 3_766 ?
Na2 O1 2.3731(12) . ?
Na2 O2 2.6110(14) 3_666 ?
Na2 O2 2.6110(14) 1_655 ?
Na1 F1 2.270(2) . ?
Na1 F2 2.7565(15) 2_645 ?
Na1 F2 2.3120(14) 1_455 ?
Na1 F2 2.7565(15) 3_665 ?
Na1 F2 2.3120(14) 4_465 ?
Na1 O1 2.511(2) 3_666 ?
O2 H1 0.83(4) . ?

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
Na2 Mn1 Na2 180.0 1_454 . ?
Na1 Mn1 Na2 121.76(2) 3_565 . ?
Na1 Mn1 Na2 121.76(2) 1_655 1_454 ?
Na1 Mn1 Na2 103.32(2) . . ?
Na1 Mn1 Na2 58.24(2) 1_655 . ?
Na1 Mn1 Na2 103.32(2) 3_665 1_454 ?
Na1 Mn1 Na2 76.68(2) 3_665 . ?
Na1 Mn1 Na2 76.68(2) . 1_454 ?
Na1 Mn1 Na2 58.24(2) 3_565 1_454 ?
Na1 Mn1 Na1 180.0 3_665 . ?
Na1 Mn1 Na1 70.553(11) . 3_565 ?
Na1 Mn1 Na1 109.447(11) 3_665 3_565 ?
Na1 Mn1 Na1 180.0 3_565 1_655 ?
Na1 Mn1 Na1 109.447(11) . 1_655 ?
Na1 Mn1 Na1 70.553(10) 3_665 1_655 ?
F1 Mn1 Na2 99.81(4) . 1_454 ?
F1 Mn1 Na2 80.19(4) . . ?
F1 Mn1 Na2 80.19(4) 3_665 1_454 ?
F1 Mn1 Na2 99.81(4) 3_665 . ?
F1 Mn1 Na1 40.23(5) 3_665 3_665 ?
F1 Mn1 Na1 139.77(5) . 3_665 ?
F1 Mn1 Na1 110.69(5) 3_665 1_655 ?
F1 Mn1 Na1 69.31(5) . 1_655 ?
F1 Mn1 Na1 139.77(5) 3_665 . ?
F1 Mn1 Na1 69.31(5) 3_665 3_565 ?
F1 Mn1 Na1 110.69(5) . 3_565 ?
F1 Mn1 Na1 40.23(5) . . ?
F1 Mn1 F1 180.0 . 3_665 ?
F2 Mn1 Na2 148.37(4) . 1_454 ?
F2 Mn1 Na2 31.63(4) 3_665 1_454 ?
F2 Mn1 Na2 148.37(4) 3_665 . ?
F2 Mn1 Na2 31.63(4) . . ?
F2 Mn1 Na1 53.47(4) . 3_665 ?
F2 Mn1 Na1 143.72(4) 3_665 1_655 ?
F2 Mn1 Na1 143.72(4) . 3_565 ?
F2 Mn1 Na1 126.53(4) 3_665 3_665 ?
F2 Mn1 Na1 36.28(4) . 1_655 ?
F2 Mn1 Na1 53.47(4) 3_665 . ?
F2 Mn1 Na1 36.28(4) 3_665 3_565 ?
F2 Mn1 Na1 126.53(4) . . ?
F2 Mn1 F1 89.02(6) . 3_665 ?
F2 Mn1 F1 89.03(6) 3_665 . ?
F2 Mn1 F1 90.98(6) . . ?
F2 Mn1 F1 90.97(6) 3_665 3_665 ?
F2 Mn1 F2 180.0 3_665 . ?
F2 Mn1 O3 91.71(6) 3_665 3_665 ?
F2 Mn1 O3 88.29(6) 3_665 . ?
F2 Mn1 O3 91.71(6) . . ?
F2 Mn1 O3 88.29(6) . 3_665 ?
O3 Mn1 Na2 61.74(4) 3_665 1_454 ?
O3 Mn1 Na2 118.26(4) . 1_454 ?
O3 Mn1 Na2 118.26(4) 3_665 . ?
O3 Mn1 Na2 61.74(4) . . ?
O3 Mn1 Na1 61.95(5) . 3_565 ?
O3 Mn1 Na1 118.05(5) . 1_655 ?
O3 Mn1 Na1 70.61(5) . . ?
O3 Mn1 Na1 70.61(5) 3_665 3_665 ?
O3 Mn1 Na1 109.39(5) 3_665 . ?
O3 Mn1 Na1 118.05(5) 3_665 3_565 ?
O3 Mn1 Na1 61.95(5) 3_665 1_655 ?
O3 Mn1 Na1 109.39(5) . 3_665 ?
O3 Mn1 F1 92.72(6) . 3_665 ?
O3 Mn1 F1 87.28(6) . . ?
O3 Mn1 F1 87.28(6) 3_665 3_665 ?
O3 Mn1 F1 92.72(6) 3_665 . ?
O3 Mn1 O3 180.0 . 3_665 ?
Na2 P1 Na2 71.650(15) 2_756 . ?
O1 P1 Na2 41.06(4) . . ?
O1 P1 Na2 41.06(4) . 2_756 ?
O1 P1 O2 110.21(11) . . ?
O1 P1 O3 114.17(7) . 4_575 ?
O1 P1 O3 114.17(7) . . ?
O2 P1 Na2 122.70(6) . . ?
O2 P1 Na2 122.70(6) . 2_756 ?
O3 P1 Na2 131.60(7) . 2_756 ?
O3 P1 Na2 131.60(7) 4_575 . ?
O3 P1 Na2 73.11(6) 4_575 2_756 ?
O3 P1 Na2 73.11(6) . . ?
O3 P1 O2 104.05(7) 4_575 . ?
O3 P1 O2 104.05(7) . . ?
O3 P1 O3 109.25(11) 4_575 . ?
Mn1 Na2 Mn1 180.0 1_656 . ?
P1 Na2 Mn1 54.573(12) . . ?
P1 Na2 Mn1 125.427(12) . 1_656 ?
P1 Na2 Mn1 125.426(12) 3_766 . ?
P1 Na2 Mn1 54.574(12) 3_766 1_656 ?
P1 Na2 P1 180.0 . 3_766 ?
P1 Na2 Na1 66.17(2) . 3_666 ?
P1 Na2 Na1 66.17(2) 3_766 1_655 ?
P1 Na2 Na1 113.83(2) . 1_655 ?
P1 Na2 Na1 113.83(2) 3_766 3_666 ?
Na1 Na2 Mn1 120.50(2) 1_655 1_656 ?
Na1 Na2 Mn1 59.50(2) 1_655 . ?
Na1 Na2 Mn1 120.50(2) 3_666 . ?
Na1 Na2 Mn1 59.50(2) 3_666 1_656 ?
Na1 Na2 Na1 180.0 3_666 1_655 ?
F2 Na2 Mn1 154.51(3) . 1_656 ?
F2 Na2 Mn1 154.51(3) 3_766 . ?
F2 Na2 Mn1 25.49(3) . . ?
F2 Na2 Mn1 25.49(3) 3_766 1_656 ?
F2 Na2 P1 105.38(3) . 3_766 ?
F2 Na2 P1 105.38(3) 3_766 . ?
F2 Na2 P1 74.62(3) 3_766 3_766 ?
F2 Na2 P1 74.62(3) . . ?
F2 Na2 Na1 40.91(3) 3_766 3_666 ?
F2 Na2 Na1 139.09(3) 3_766 1_655 ?
F2 Na2 Na1 40.91(3) . 1_655 ?
F2 Na2 Na1 139.09(3) . 3_666 ?
F2 Na2 F2 180.0 3_766 . ?
F2 Na2 O1 86.98(6) 3_766 . ?
F2 Na2 O1 86.98(6) . 3_766 ?
F2 Na2 O1 93.02(6) . . ?
F2 Na2 O1 93.02(6) 3_766 3_766 ?
F2 Na2 O2 92.38(5) . 1_655 ?
F2 Na2 O2 87.62(5) 3_766 1_655 ?
F2 Na2 O2 87.62(5) . 3_666 ?
F2 Na2 O2 92.38(5) 3_766 3_666 ?
O1 Na2 Mn1 77.21(5) . . ?
O1 Na2 Mn1 102.79(5) . 1_656 ?
O1 Na2 Mn1 77.21(5) 3_766 1_656 ?
O1 Na2 Mn1 102.79(5) 3_766 . ?
O1 Na2 P1 155.50(5) 3_766 . ?
O1 Na2 P1 155.50(5) . 3_766 ?
O1 Na2 P1 24.50(5) 3_766 3_766 ?
O1 Na2 P1 24.50(5) . . ?
O1 Na2 Na1 46.08(5) . 3_666 ?
O1 Na2 Na1 133.92(5) 3_766 3_666 ?
O1 Na2 Na1 133.92(5) . 1_655 ?
O1 Na2 Na1 46.08(5) 3_766 1_655 ?
O1 Na2 O1 180.0 . 3_766 ?
O1 Na2 O2 78.18(5) 3_766 3_666 ?
O1 Na2 O2 78.17(5) . 1_655 ?
O1 Na2 O2 101.82(5) . 3_666 ?
O1 Na2 O2 101.82(5) 3_766 1_655 ?
O2 Na2 Mn1 108.15(4) 3_666 1_656 ?
O2 Na2 Mn1 71.85(4) 3_666 . ?
O2 Na2 Mn1 71.85(4) 1_655 1_656 ?
O2 Na2 Mn1 108.15(4) 1_655 . ?
O2 Na2 P1 95.09(3) 3_666 3_766 ?
O2 Na2 P1 95.09(3) 1_655 . ?
O2 Na2 P1 84.91(3) 3_666 . ?
O2 Na2 P1 84.91(3) 1_655 3_766 ?
O2 Na2 Na1 80.27(4) 3_666 1_655 ?
O2 Na2 Na1 80.27(4) 1_655 3_666 ?
O2 Na2 Na1 99.73(4) 1_655 1_655 ?
O2 Na2 Na1 99.73(4) 3_666 3_666 ?
O2 Na2 O2 180.0 3_666 1_655 ?
Mn1 Na1 Mn1 109.447(11) . 1_455 ?
Mn1 Na1 Mn1 161.09(4) . 2_545 ?
Mn1 Na1 Mn1 66.06(2) 2_545 1_455 ?
Mn1 Na1 Mn1 68.45(2) . 2_645 ?
Mn1 Na1 Mn1 161.09(4) 2_645 1_455 ?
Mn1 Na1 Mn1 109.447(11) 2_645 2_545 ?
Mn1 Na1 Na2 135.96(4) 2_645 1_455 ?
Mn1 Na1 Na2 95.598(18) . 1_455 ?
Mn1 Na1 Na2 135.96(4) . 2_646 ?
Mn1 Na1 Na2 95.598(18) 2_645 2_646 ?
Na2 Na1 Mn1 97.85(3) 2_646 1_455 ?
Na2 Na1 Mn1 97.85(3) 1_455 2_545 ?
Na2 Na1 Mn1 62.258(17) 1_455 1_455 ?
Na2 Na1 Mn1 62.258(17) 2_646 2_545 ?
Na2 Na1 Na2 67.06(2) 1_455 2_646 ?
F1 Na1 Mn1 146.005(18) . 2_545 ?
F1 Na1 Mn1 36.706(19) . . ?
F1 Na1 Mn1 36.706(19) . 2_645 ?
F1 Na1 Mn1 146.005(18) . 1_455 ?
F1 Na1 Na2 108.32(5) . 1_455 ?
F1 Na1 Na2 108.32(5) . 2_646 ?
F1 Na1 F2 66.38(4) . 3_665 ?
F1 Na1 F2 66.38(4) . 2_645 ?
F1 Na1 F2 123.87(4) . 1_455 ?
F1 Na1 F2 123.87(4) . 4_465 ?
F1 Na1 O1 83.64(7) . 3_666 ?
F2 Na1 Mn1 82.51(3) 2_645 2_545 ?
F2 Na1 Mn1 88.16(4) 2_645 . ?
F2 Na1 Mn1 82.51(3) 3_665 1_455 ?
F2 Na1 Mn1 90.12(5) 4_465 1_455 ?
F2 Na1 Mn1 28.42(3) 1_455 1_455 ?
F2 Na1 Mn1 160.00(5) 1_455 2_645 ?
F2 Na1 Mn1 32.82(3) 3_665 . ?
F2 Na1 Mn1 88.16(4) 3_665 2_645 ?
F2 Na1 Mn1 32.82(3) 2_645 2_645 ?
F2 Na1 Mn1 130.77(5) 2_645 1_455 ?
F2 Na1 Mn1 28.42(3) 4_465 2_545 ?
F2 Na1 Mn1 91.72(3) 1_455 . ?
F2 Na1 Mn1 90.12(5) 1_455 2_545 ?
F2 Na1 Mn1 130.77(5) 3_665 2_545 ?
F2 Na1 Mn1 91.72(3) 4_465 2_645 ?
F2 Na1 Mn1 160.00(5) 4_465 . ?
F2 Na1 Na2 99.67(3) 3_665 1_455 ?
F2 Na1 Na2 99.67(3) 2_645 2_646 ?
F2 Na1 Na2 164.10(5) 3_665 2_646 ?
F2 Na1 Na2 97.27(5) 1_455 2_646 ?
F2 Na1 Na2 39.92(3) 1_455 1_455 ?
F2 Na1 Na2 164.10(5) 2_645 1_455 ?
F2 Na1 Na2 97.27(5) 4_465 1_455 ?
F2 Na1 Na2 39.92(3) 4_465 2_646 ?
F2 Na1 F2 155.68(6) 1_455 2_645 ?
F2 Na1 F2 75.46(5) 1_455 3_665 ?
F2 Na1 F2 155.68(6) 4_465 3_665 ?
F2 Na1 F2 91.87(6) 2_645 3_665 ?
F2 Na1 F2 75.46(5) 4_465 2_645 ?
F2 Na1 F2 107.95(8) 4_465 1_455 ?
F2 Na1 O1 82.82(5) 1_455 3_666 ?
F2 Na1 O1 82.82(5) 4_465 3_666 ?
O1 Na1 Mn1 96.45(5) 3_666 2_645 ?
O1 Na1 Mn1 102.45(5) 3_666 2_545 ?
O1 Na1 Mn1 96.45(5) 3_666 . ?
O1 Na1 Mn1 102.45(5) 3_666 1_455 ?
O1 Na1 Na2 42.90(3) 3_666 2_646 ?
O1 Na1 Na2 42.90(3) 3_666 1_455 ?
O1 Na1 F2 121.37(5) 3_666 2_645 ?
O1 Na1 F2 121.37(5) 3_666 3_665 ?
Mn1 F1 Mn1 132.87(8) 2_645 . ?
Mn1 F1 Na1 103.06(5) 2_645 . ?
Mn1 F1 Na1 103.06(5) . . ?
Mn1 F2 Na2 122.87(6) . . ?
Mn1 F2 Na1 93.71(5) . 3_665 ?
Mn1 F2 Na1 115.30(6) . 1_655 ?
Na2 F2 Na1 120.96(5) . 3_665 ?
Na2 F2 Na1 99.17(5) . 1_655 ?
Na1 F2 Na1 104.54(5) 1_655 3_665 ?
P1 O1 Na2 114.44(6) . 2_756 ?
P1 O1 Na2 114.44(6) . . ?
P1 O1 Na1 133.22(12) . 3_666 ?
Na2 O1 Na2 108.44(8) 2_756 . ?
Na2 O1 Na1 91.02(6) 2_756 3_666 ?
Na2 O1 Na1 91.02(6) . 3_666 ?
P1 O2 Na2 125.79(6) . 2_656 ?
P1 O2 Na2 125.79(6) . 1_455 ?
P1 O2 H1 106(3) . . ?
Na2 O2 Na2 95.01(7) 1_455 2_656 ?
Na2 O2 H1 100(2) 1_455 . ?
Na2 O2 H1 100(2) 2_656 . ?
P1 O3 Mn1 135.98(9) . . ?

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
Na2 Mn1 F2 Na2 180.000(0) 1_454 . . . ?
Na2 Mn1 F2 Na1 -130.98(8) . . . 3_665 ?
Na2 Mn1 F2 Na1 -58.97(9) 1_454 . . 1_655 ?
Na2 Mn1 F2 Na1 49.02(8) 1_454 . . 3_665 ?
Na2 Mn1 F2 Na1 121.03(9) . . . 1_655 ?
Na2 Mn1 O3 P1 71.37(12) . . . . ?
Na2 Mn1 O3 P1 -108.63(12) 1_454 . . . ?
Na2 P1 O1 Na2 126.03(16) . . . 2_756 ?
Na2 P1 O1 Na2 -126.03(16) 2_756 . . . ?
Na2 P1 O1 Na1 -116.99(8) . . . 3_666 ?
Na2 P1 O1 Na1 116.99(8) 2_756 . . 3_666 ?
Na2 P1 O2 Na2 -158.71(7) 2_756 . . 1_455 ?
Na2 P1 O2 Na2 70.57(14) 2_756 . . 2_656 ?
Na2 P1 O2 Na2 158.71(7) . . . 2_656 ?
Na2 P1 O2 Na2 -70.57(14) . . . 1_455 ?
Na2 P1 O3 Mn1 -74.19(12) . . . . ?
Na2 P1 O3 Mn1 -29.39(17) 2_756 . . . ?
Na1 Mn1 F2 Na2 -49.02(8) . . . . ?
Na1 Mn1 F2 Na2 130.98(8) 3_665 . . . ?
Na1 Mn1 F2 Na2 58.97(9) 3_565 . . . ?
Na1 Mn1 F2 Na2 -121.03(9) 1_655 . . . ?
Na1 Mn1 F2 Na1 72.01(7) . . . 1_655 ?
Na1 Mn1 F2 Na1 180.0 . . . 3_665 ?
Na1 Mn1 F2 Na1 -108.00(7) 3_665 . . 1_655 ?
Na1 Mn1 F2 Na1 180.0 3_565 . . 1_655 ?
Na1 Mn1 F2 Na1 -72.00(7) 3_565 . . 3_665 ?
Na1 Mn1 F2 Na1 108.00(7) 1_655 . . 3_665 ?
Na1 Mn1 O3 P1 9.17(14) 3_665 . . . ?
Na1 Mn1 O3 P1 -170.83(14) . . . . ?
Na1 Mn1 O3 P1 -93.09(13) 3_565 . . . ?
Na1 Mn1 O3 P1 86.91(13) 1_655 . . . ?
F1 Mn1 F2 Na2 -69.36(7) . . . . ?
F1 Mn1 F2 Na2 110.64(7) 3_665 . . . ?
F1 Mn1 F2 Na1 -20.34(5) 3_665 . . 3_665 ?
F1 Mn1 F2 Na1 -128.33(7) 3_665 . . 1_655 ?
F1 Mn1 F2 Na1 51.67(7) . . . 1_655 ?
F1 Mn1 F2 Na1 159.66(5) . . . 3_665 ?
F1 Mn1 O3 P1 -28.31(14) 3_665 . . . ?
F1 Mn1 O3 P1 151.69(14) . . . . ?
F2 Mn1 O3 P1 60.80(13) . . . . ?
F2 Mn1 O3 P1 -119.20(13) 3_665 . . . ?
O1 P1 O2 Na2 -114.64(10) . . . 1_455 ?
O1 P1 O2 Na2 114.64(10) . . . 2_656 ?
O1 P1 O3 Mn1 -74.41(15) . . . . ?
O2 P1 O1 Na2 -116.99(8) . . . 2_756 ?
O2 P1 O1 Na2 116.99(8) . . . . ?
O2 P1 O1 Na1 0.000(0) . . . 3_666 ?
O2 P1 O3 Mn1 165.42(12) . . . . ?
O3 Mn1 F2 Na2 17.94(7) . . . . ?
O3 Mn1 F2 Na2 -162.06(7) 3_665 . . . ?
O3 Mn1 F2 Na1 -113.04(5) . . . 3_665 ?
O3 Mn1 F2 Na1 66.96(5) 3_665 . . 3_665 ?
O3 Mn1 F2 Na1 -41.03(7) 3_665 . . 1_655 ?
O3 Mn1 F2 Na1 138.97(7) . . . 1_655 ?
O3 P1 O1 Na2 -0.33(13) 4_575 . . 2_756 ?
O3 P1 O1 Na2 126.36(8) . . . 2_756 ?
O3 P1 O1 Na2 0.33(13) . . . . ?
O3 P1 O1 Na2 -126.36(8) 4_575 . . . ?
O3 P1 O1 Na1 116.66(7) 4_575 . . 3_666 ?
O3 P1 O1 Na1 -116.66(7) . . . 3_666 ?
O3 P1 O2 Na2 -122.56(10) . . . 2_656 ?
O3 P1 O2 Na2 122.56(10) 4_575 . . 1_455 ?
O3 P1 O2 Na2 -8.17(14) 4_575 . . 2_656 ?
O3 P1 O2 Na2 8.17(13) . . . 1_455 ?
O3 P1 O3 Mn1 54.79(19) 4_575 . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 2.811
_oxdiff_exptl_absorpt_empirical_full_min 0.691
