# Electronic Supplementary Material (ESI) for Dalton Transactions.
# 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_shelx
_database_code_depnum_ccdc_archive 'CCDC 2302900'
loop_
_audit_author_name
_audit_author_address
'MOHAMMED HADOUCHI'
;Mohammed V University
Morocco
;

_audit_update_record             
;
2023-10-23 deposited with the CCDC.	2023-12-15 downloaded from the CCDC.
;
#Added by publCIF


_publcif_datablock.id            {9c06847f-d4fa-402f-8483-b0a90cd204a3}
# publcif _publ_body_element loop end 
_audit_creation_method           SHELXL-2018/3

_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_structural     BaCo0.5Fe(PO4)2
_chemical_formula_moiety         'Ba Co0.50 Fe O8 P2'
_chemical_formula_sum            'Ba Co0.50 Fe O8 P2'
_chemical_formula_weight         412.60

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
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'
Fe Fe 0.3463 0.8444 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ba Ba -0.3244 2.2819 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_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.
;

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                   8.7062(3)
_cell_length_b                   9.9946(3)
_cell_length_c                   21.8900(7)
_cell_angle_alpha                90
_cell_angle_beta                 93.1330(10)
_cell_angle_gamma                90
_cell_volume                     1901.91(11)
_cell_formula_units_Z            12
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    6910
_cell_measurement_theta_min      2.343
_cell_measurement_theta_max      32.576

_exptl_crystal_description       Block
_exptl_crystal_colour            Brown
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    4.323
_exptl_crystal_F_000             2274
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.21
_exptl_absorpt_coefficient_mu    10.237
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5725
_exptl_absorpt_correction_T_max  0.7478
_exptl_absorpt_process_details   '(SADABS; Krause et al., 2015)'


_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'INCOATEC I\mS micro-focus source'
_diffrn_radiation_monochromator  'HELIOS mirror optics'
_diffrn_measurement_device_type  'Bruker D8 VENTURE Diffractometer'
_diffrn_detector                 'PHOTON100 CMOS area-detector'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?

_diffrn_reflns_number            65115
_diffrn_reflns_av_unetI/netI     0.0253
_diffrn_reflns_av_R_equivalents  0.0455
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_theta_min         2.343
_diffrn_reflns_theta_max         32.576
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             6910
_reflns_number_gt                5817
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

_computing_data_collection       'APEX3 (Bruker, 2016)'
_computing_cell_refinement       'SAINT (Bruker, 2016)'
_computing_data_reduction        SAINT
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2015a)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2015b)'
_computing_molecular_graphics    
'Ortep-3 (Farrugia, 2012); DIAMOND (Brandenburg, 2006)'
_computing_publication_material  'PublCIF (Westrip, 2010)'

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0213P)²+4.4442P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   .
_refine_ls_hydrogen_treatment    undef
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_extinction_coef       0.00027(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         6910
_refine_ls_number_parameters     344
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0326
_refine_ls_R_factor_gt           0.0222
_refine_ls_wR_factor_ref         0.0501
_refine_ls_wR_factor_gt          0.0476
_refine_ls_goodness_of_fit_ref   1.017
_refine_ls_restrained_S_all      1.017
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

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
Ba1 Ba 0.23660(2) 0.69662(2) 0.79151(2) 0.01338(4) Uani 1 1 d . . . . .
Ba2 Ba 0.78899(2) 0.89505(2) 0.53955(2) 0.01146(4) Uani 1 1 d . . . . .
Ba3 Ba 0.68518(2) 0.60149(2) 0.34770(2) 0.01731(4) Uani 1 1 d . . . . .
Fe1 Fe 0.12508(4) 1.02053(4) 0.62723(2) 0.00715(7) Uani 1 1 d . . . . .
Fe2 Fe 0.39549(4) 0.70234(4) 0.46391(2) 0.00948(7) Uani 1 1 d . . . . .
Fe3 Fe 0.46433(4) 0.21044(4) 0.32260(2) 0.00747(7) Uani 1 1 d . . . . .
Co1A Co 0.000000 0.500000 0.500000 0.0175(3) Uani 0.2782 2 d S . P . .
Co1B Co -0.0222(2) 0.4842(2) 0.48780(9) 0.0175(3) Uani 0.3609 1 d . . P . .
Co2 Co 0.06786(4) 1.07921(4) 0.83743(2) 0.01349(8) Uani 1 1 d . . . . .
P1 P 0.35075(7) 1.00975(6) 0.75604(3) 0.00695(11) Uani 1 1 d . . . . .
P2 P 0.21264(7) 0.71721(7) 0.59457(3) 0.00769(12) Uani 1 1 d . . . . .
P3 P 0.52283(7) 0.91981(6) 0.40708(3) 0.00769(12) Uani 1 1 d . . . . .
P4 P 0.02963(7) 0.76705(6) 0.42257(3) 0.00769(12) Uani 1 1 d . . . . .
P5 P 0.33886(8) 0.40470(6) 0.43645(3) 0.00834(12) Uani 1 1 d . . . . .
P6 P 0.10271(7) 0.12107(6) 0.28119(3) 0.00684(11) Uani 1 1 d . . . . .
O1 O 0.2440(2) 0.9827(2) 0.80748(9) 0.0129(4) Uani 1 1 d . . . . .
O2 O 0.4716(2) 1.11745(19) 0.77203(9) 0.0142(4) Uani 1 1 d . . . . .
O3 O 0.2567(2) 1.0437(2) 0.69761(9) 0.0188(4) Uani 1 1 d . . . . .
O4 O 0.4380(2) 0.87705(18) 0.74824(9) 0.0117(4) Uani 1 1 d . . . . .
O5 O 0.3292(3) 0.7303(3) 0.64862(12) 0.0310(6) Uani 1 1 d . . . . .
O6 O 0.1127(2) 0.84203(19) 0.58817(10) 0.0144(4) Uani 1 1 d . . . . .
O7 O 0.2921(3) 0.6853(3) 0.53626(11) 0.0329(6) Uani 1 1 d . . . . .
O8 O 0.1151(3) 0.5942(2) 0.60690(12) 0.0217(5) Uani 1 1 d . . . . .
O9 O 0.4394(2) 0.89743(19) 0.46703(9) 0.0133(4) Uani 1 1 d . . . . .
O10 O 0.6949(2) 0.9363(2) 0.42272(9) 0.0151(4) Uani 1 1 d . . . . .
O11 O 0.4504(2) 1.0375(2) 0.37283(10) 0.0180(4) Uani 1 1 d . . . . .
O12 O 0.4926(2) 0.7869(2) 0.37381(10) 0.0172(4) Uani 1 1 d . . . . .
O13 O 0.1988(2) 0.7394(2) 0.41305(9) 0.0130(4) Uani 1 1 d . . . . .
O14 O 0.0062(2) 0.90903(18) 0.44890(9) 0.0097(3) Uani 1 1 d . . . . .
O15 O -0.0584(2) 0.7780(2) 0.35956(9) 0.0136(4) Uani 1 1 d . . . . .
O16 O -0.0479(3) 0.6674(2) 0.46242(11) 0.0217(5) Uani 1 1 d . . . . .
O17 O 0.4347(2) 0.52855(18) 0.42443(9) 0.0118(4) Uani 1 1 d . . . . .
O18 O 0.1671(3) 0.4365(3) 0.43359(12) 0.0291(6) Uani 1 1 d . . . . .
O19 O 0.3886(2) 0.3332(2) 0.49619(10) 0.0178(4) Uani 1 1 d . . . . .
O20 O 0.3519(3) 0.2987(2) 0.38567(11) 0.0276(6) Uani 1 1 d . . . . .
O21 O 0.2736(2) 0.1546(2) 0.27828(9) 0.0149(4) Uani 1 1 d . . . . .
O22 O 0.0793(2) 0.03027(19) 0.33741(9) 0.0116(4) Uani 1 1 d . . . . .
O23 O 0.0086(2) 0.2486(2) 0.28610(10) 0.0151(4) Uani 1 1 d . . . . .
O24 O 0.0692(2) 0.0375(2) 0.22336(9) 0.0156(4) 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









Ba1 O23 2.711(2) 3_566 ?
Ba1 O4 2.7210(19) . ?
Ba1 O13 2.773(2) 4_576 ?
Ba1 O12 2.793(2) 4_576 ?
Ba1 O22 2.8599(19) 4_566 ?
Ba1 O1 2.881(2) . ?
Ba1 O15 3.049(2) 4_576 ?
Ba1 O2 3.066(2) 2_646 ?
Ba1 O24 3.096(2) 4_566 ?
Ba1 O5 3.290(3) . ?
Ba2 O14 2.6514(19) 3_676 ?
Ba2 O10 2.674(2) . ?
Ba2 O14 2.8181(19) 1_655 ?
Ba2 O19 2.842(2) 3_666 ?
Ba2 O20 2.855(2) 3_666 ?
Ba2 O9 2.871(2) 3_676 ?
Ba2 O22 2.965(2) 3_666 ?
Ba2 O11 2.985(2) 3_676 ?
Ba2 O6 3.005(2) 1_655 ?
Ba2 O16 3.210(2) 1_655 ?
Ba3 O12 2.584(2) . ?
Ba3 O8 2.766(2) 3_666 ?
Ba3 O24 2.786(2) 2_655 ?
Ba3 O15 2.847(2) 1_655 ?
Ba3 O21 2.850(2) 2_655 ?
Ba3 O17 2.917(2) . ?
Ba3 O4 2.984(2) 4_575 ?
Ba3 O2 3.264(2) 4_575 ?
Ba3 O5 3.320(3) 3_666 ?
Fe1 O3 1.884(2) . ?
Fe1 O6 1.979(2) . ?
Fe1 O10 2.006(2) 3_676 ?
Fe1 O22 2.043(2) 3_566 ?
Fe1 O14 2.0904(19) 3_576 ?
Fe1 O15 2.120(2) 3_576 ?
Fe2 O7 1.872(2) . ?
Fe2 O17 1.9780(19) . ?
Fe2 O9 1.987(2) . ?
Fe2 O13 2.0250(19) . ?
Fe2 O19 2.060(2) 3_666 ?
Fe2 O12 2.346(2) . ?
Fe3 O20 1.947(2) . ?
Fe3 O21 1.9581(19) . ?
Fe3 O5 1.963(2) 3_666 ?
Fe3 O4 2.009(2) 3_666 ?
Fe3 O2 2.0484(19) 4_575 ?
Fe3 O11 2.055(2) 1_545 ?
Co1A O16 1.901(2) 3_566 ?
Co1A O16 1.901(2) . ?
Co1A O18 2.205(3) . ?
Co1A O18 2.205(3) 3_566 ?
Co1B O16 1.924(3) . ?
Co1B O16 1.945(3) 3_566 ?
Co1B O18 2.137(4) . ?
Co1B O18 2.328(4) 3_566 ?
Co2 O1 1.9547(19) . ?
Co2 O8 2.063(2) 2_556 ?
Co2 O24 2.093(2) 3_566 ?
Co2 O23 2.104(2) 4_576 ?
Co2 O18 2.237(3) 4_576 ?
P1 O3 1.519(2) . ?
P1 O1 1.523(2) . ?
P1 O2 1.532(2) . ?
P1 O4 1.5424(19) . ?
P2 O7 1.519(2) . ?
P2 O5 1.522(2) . ?
P2 O6 1.523(2) . ?
P2 O8 1.526(2) . ?
P3 O11 1.514(2) . ?
P3 O10 1.527(2) . ?
P3 O12 1.531(2) . ?
P3 O9 1.551(2) . ?
P4 O16 1.508(2) . ?
P4 O13 1.524(2) . ?
P4 O15 1.545(2) . ?
P4 O14 1.5494(19) . ?
P5 O17 1.524(2) . ?
P5 O18 1.527(2) . ?
P5 O19 1.532(2) . ?
P5 O20 1.544(2) . ?
P6 O23 1.522(2) . ?
P6 O21 1.530(2) . ?
P6 O24 1.531(2) . ?
P6 O22 1.551(2) . ?

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















O23 Ba1 O4 98.53(6) 3_566 . ?
O23 Ba1 O13 115.09(6) 3_566 4_576 ?
O4 Ba1 O13 107.08(6) . 4_576 ?
O23 Ba1 O12 164.96(6) 3_566 4_576 ?
O4 Ba1 O12 71.27(6) . 4_576 ?
O13 Ba1 O12 60.00(6) 4_576 4_576 ?
O23 Ba1 O22 90.25(6) 3_566 4_566 ?
O4 Ba1 O22 167.93(6) . 4_566 ?
O13 Ba1 O22 76.20(6) 4_576 4_566 ?
O12 Ba1 O22 101.58(6) 4_576 4_566 ?
O23 Ba1 O1 83.52(6) 3_566 . ?
O4 Ba1 O1 51.24(5) . . ?
O13 Ba1 O1 69.99(6) 4_576 . ?
O12 Ba1 O1 81.46(6) 4_576 . ?
O22 Ba1 O1 138.79(5) 4_566 . ?
O23 Ba1 O15 68.52(6) 3_566 4_576 ?
O4 Ba1 O15 133.70(5) . 4_576 ?
O13 Ba1 O15 50.57(5) 4_576 4_576 ?
O12 Ba1 O15 110.10(6) 4_576 4_576 ?
O22 Ba1 O15 57.44(5) 4_566 4_576 ?
O1 Ba1 O15 82.65(5) . 4_576 ?
O23 Ba1 O2 114.30(6) 3_566 2_646 ?
O4 Ba1 O2 56.47(5) . 2_646 ?
O13 Ba1 O2 129.75(6) 4_576 2_646 ?
O12 Ba1 O2 69.88(6) 4_576 2_646 ?
O22 Ba1 O2 112.30(5) 4_566 2_646 ?
O1 Ba1 O2 107.32(5) . 2_646 ?
O15 Ba1 O2 169.73(5) 4_576 2_646 ?
O23 Ba1 O24 61.10(6) 3_566 4_566 ?
O4 Ba1 O24 128.93(6) . 4_566 ?
O13 Ba1 O24 123.99(6) 4_576 4_566 ?
O12 Ba1 O24 133.89(5) 4_576 4_566 ?
O22 Ba1 O24 49.32(5) 4_566 4_566 ?
O1 Ba1 O24 144.62(5) . 4_566 ?
O15 Ba1 O24 84.92(5) 4_576 4_566 ?
O2 Ba1 O24 88.06(5) 2_646 4_566 ?
O23 Ba1 O5 66.98(6) 3_566 . ?
O4 Ba1 O5 53.50(6) . . ?
O13 Ba1 O5 159.49(6) 4_576 . ?
O12 Ba1 O5 112.26(6) 4_576 . ?
O22 Ba1 O5 124.21(6) 4_566 . ?
O1 Ba1 O5 90.50(6) . . ?
O15 Ba1 O5 135.46(6) 4_576 . ?
O2 Ba1 O5 48.93(6) 2_646 . ?
O24 Ba1 O5 75.68(6) 4_566 . ?
O14 Ba2 O10 98.42(6) 3_676 . ?
O14 Ba2 O14 63.69(7) 3_676 1_655 ?
O10 Ba2 O14 60.08(6) . 1_655 ?
O14 Ba2 O19 166.46(6) 3_676 3_666 ?
O10 Ba2 O19 74.16(6) . 3_666 ?
O14 Ba2 O19 102.82(6) 1_655 3_666 ?
O14 Ba2 O20 138.93(6) 3_676 3_666 ?
O10 Ba2 O20 122.28(7) . 3_666 ?
O14 Ba2 O20 139.74(6) 1_655 3_666 ?
O19 Ba2 O20 50.88(6) 3_666 3_666 ?
O14 Ba2 O9 86.08(6) 3_676 3_676 ?
O10 Ba2 O9 70.46(6) . 3_676 ?
O14 Ba2 O9 114.72(5) 1_655 3_676 ?
O19 Ba2 O9 101.61(6) 3_666 3_676 ?
O20 Ba2 O9 101.57(7) 3_666 3_676 ?
O14 Ba2 O22 60.17(5) 3_676 3_666 ?
O10 Ba2 O22 155.92(6) . 3_666 ?
O14 Ba2 O22 112.71(5) 1_655 3_666 ?
O19 Ba2 O22 129.04(6) 3_666 3_666 ?
O20 Ba2 O22 78.87(6) 3_666 3_666 ?
O9 Ba2 O22 95.52(5) 3_676 3_666 ?
O14 Ba2 O11 105.16(6) 3_676 3_676 ?
O10 Ba2 O11 113.05(6) . 3_676 ?
O14 Ba2 O11 163.73(5) 1_655 3_676 ?
O19 Ba2 O11 88.26(6) 3_666 3_676 ?
O20 Ba2 O11 56.49(6) 3_666 3_676 ?
O9 Ba2 O11 50.46(5) 3_676 3_676 ?
O22 Ba2 O11 66.95(6) 3_666 3_676 ?
O14 Ba2 O6 58.90(5) 3_676 1_655 ?
O10 Ba2 O6 126.74(6) . 1_655 ?
O14 Ba2 O6 66.78(6) 1_655 1_655 ?
O19 Ba2 O6 116.21(6) 3_666 1_655 ?
O20 Ba2 O6 95.82(7) 3_666 1_655 ?
O9 Ba2 O6 141.14(6) 3_676 1_655 ?
O22 Ba2 O6 54.11(5) 3_666 1_655 ?
O11 Ba2 O6 119.10(6) 3_676 1_655 ?
O14 Ba2 O16 105.01(6) 3_676 1_655 ?
O10 Ba2 O16 74.19(6) . 1_655 ?
O14 Ba2 O16 48.07(5) 1_655 1_655 ?
O19 Ba2 O16 62.34(6) 3_666 1_655 ?
O20 Ba2 O16 92.13(6) 3_666 1_655 ?
O9 Ba2 O16 144.15(6) 3_676 1_655 ?
O22 Ba2 O16 119.73(6) 3_666 1_655 ?
O11 Ba2 O16 147.38(6) 3_676 1_655 ?
O6 Ba2 O16 68.17(6) 1_655 1_655 ?
O12 Ba3 O8 146.16(7) . 3_666 ?
O12 Ba3 O24 144.60(6) . 2_655 ?
O8 Ba3 O24 63.36(6) 3_666 2_655 ?
O12 Ba3 O15 92.89(6) . 1_655 ?
O8 Ba3 O15 86.05(6) 3_666 1_655 ?
O24 Ba3 O15 64.61(6) 2_655 1_655 ?
O12 Ba3 O21 101.42(7) . 2_655 ?
O8 Ba3 O21 111.68(7) 3_666 2_655 ?
O24 Ba3 O21 50.32(6) 2_655 2_655 ?
O15 Ba3 O21 80.40(6) 1_655 2_655 ?
O12 Ba3 O17 62.44(6) . . ?
O8 Ba3 O17 95.25(6) 3_666 . ?
O24 Ba3 O17 152.22(6) 2_655 . ?
O15 Ba3 O17 135.22(6) 1_655 . ?
O21 Ba3 O17 137.84(6) 2_655 . ?
O12 Ba3 O4 70.06(6) . 4_575 ?
O8 Ba3 O4 136.65(6) 3_666 4_575 ?
O24 Ba3 O4 98.86(6) 2_655 4_575 ?
O15 Ba3 O4 123.56(5) 1_655 4_575 ?
O21 Ba3 O4 53.47(5) 2_655 4_575 ?
O17 Ba3 O4 84.60(5) . 4_575 ?
O12 Ba3 O2 103.56(6) . 4_575 ?
O8 Ba3 O2 92.16(6) 3_666 4_575 ?
O24 Ba3 O2 89.78(6) 2_655 4_575 ?
O15 Ba3 O2 152.15(6) 1_655 4_575 ?
O21 Ba3 O2 74.47(6) 2_655 4_575 ?
O17 Ba3 O2 72.63(5) . 4_575 ?
O4 Ba3 O2 46.35(5) 4_575 4_575 ?
O12 Ba3 O5 133.26(7) . 3_666 ?
O8 Ba3 O5 46.25(6) 3_666 3_666 ?
O24 Ba3 O5 79.36(7) 2_655 3_666 ?
O15 Ba3 O5 130.34(6) 1_655 3_666 ?
O21 Ba3 O5 102.50(7) 2_655 3_666 ?
O17 Ba3 O5 72.90(6) . 3_666 ?
O4 Ba3 O5 93.61(5) 4_575 3_666 ?
O2 Ba3 O5 47.27(5) 4_575 3_666 ?
O3 Fe1 O6 118.72(9) . . ?
O3 Fe1 O10 87.76(9) . 3_676 ?
O6 Fe1 O10 89.08(9) . 3_676 ?
O3 Fe1 O22 102.95(9) . 3_566 ?
O6 Fe1 O22 84.94(8) . 3_566 ?
O10 Fe1 O22 169.24(8) 3_676 3_566 ?
O3 Fe1 O14 153.16(9) . 3_576 ?
O6 Fe1 O14 86.83(8) . 3_576 ?
O10 Fe1 O14 84.40(8) 3_676 3_576 ?
O22 Fe1 O14 86.35(8) 3_566 3_576 ?
O3 Fe1 O15 86.02(9) . 3_576 ?
O6 Fe1 O15 155.03(8) . 3_576 ?
O10 Fe1 O15 95.64(9) 3_676 3_576 ?
O22 Fe1 O15 86.19(8) 3_566 3_576 ?
O14 Fe1 O15 69.33(7) 3_576 3_576 ?
O7 Fe2 O17 113.08(11) . . ?
O7 Fe2 O9 99.26(11) . . ?
O17 Fe2 O9 147.05(8) . . ?
O7 Fe2 O13 92.89(10) . . ?
O17 Fe2 O13 94.67(8) . . ?
O9 Fe2 O13 89.69(8) . . ?
O7 Fe2 O19 95.48(11) . 3_666 ?
O17 Fe2 O19 81.86(8) . 3_666 ?
O9 Fe2 O19 89.17(8) . 3_666 ?
O13 Fe2 O19 171.62(9) . 3_666 ?
O7 Fe2 O12 163.04(10) . . ?
O17 Fe2 O12 82.55(8) . . ?
O9 Fe2 O12 66.29(8) . . ?
O13 Fe2 O12 78.74(8) . . ?
O19 Fe2 O12 93.22(8) 3_666 . ?
O20 Fe3 O21 92.00(10) . . ?
O20 Fe3 O5 97.05(12) . 3_666 ?
O21 Fe3 O5 169.03(11) . 3_666 ?
O20 Fe3 O4 174.27(10) . 3_666 ?
O21 Fe3 O4 82.93(8) . 3_666 ?
O5 Fe3 O4 87.71(10) 3_666 3_666 ?
O20 Fe3 O2 91.96(9) . 4_575 ?
O21 Fe3 O2 91.27(9) . 4_575 ?
O5 Fe3 O2 82.27(10) 3_666 4_575 ?
O4 Fe3 O2 85.50(8) 3_666 4_575 ?
O20 Fe3 O11 87.41(9) . 1_545 ?
O21 Fe3 O11 87.25(9) . 1_545 ?
O5 Fe3 O11 99.30(10) 3_666 1_545 ?
O4 Fe3 O11 94.98(8) 3_666 1_545 ?
O2 Fe3 O11 178.37(9) 4_575 1_545 ?
O16 Co1A O16 180.0 3_566 . ?
O16 Co1A O18 83.96(9) 3_566 . ?
O16 Co1A O18 96.04(9) . . ?
O16 Co1A O18 96.04(9) 3_566 3_566 ?
O16 Co1A O18 83.96(9) . 3_566 ?
O18 Co1A O18 180.0 . 3_566 ?
O16 Co1B O16 158.68(7) . 3_566 ?
O16 Co1B O18 97.65(14) . . ?
O16 Co1B O18 84.80(13) 3_566 . ?
O16 Co1B O18 80.21(12) . 3_566 ?
O16 Co1B O18 91.00(13) 3_566 3_566 ?
O18 Co1B O18 162.20(7) . 3_566 ?
O1 Co2 O8 151.54(9) . 2_556 ?
O1 Co2 O24 86.70(8) . 3_566 ?
O8 Co2 O24 89.09(9) 2_556 3_566 ?
O1 Co2 O23 113.47(8) . 4_576 ?
O8 Co2 O23 94.66(9) 2_556 4_576 ?
O24 Co2 O23 90.09(8) 3_566 4_576 ?
O1 Co2 O18 90.64(8) . 4_576 ?
O8 Co2 O18 73.77(9) 2_556 4_576 ?
O24 Co2 O18 137.44(9) 3_566 4_576 ?
O23 Co2 O18 129.12(9) 4_576 4_576 ?
O3 P1 O1 109.85(12) . . ?
O3 P1 O2 111.55(13) . . ?
O1 P1 O2 113.26(12) . . ?
O3 P1 O4 110.18(12) . . ?
O1 P1 O4 104.67(11) . . ?
O2 P1 O4 107.06(11) . . ?
O7 P2 O5 110.89(16) . . ?
O7 P2 O6 112.27(13) . . ?
O5 P2 O6 110.74(14) . . ?
O7 P2 O8 105.23(15) . . ?
O5 P2 O8 106.61(15) . . ?
O6 P2 O8 110.82(12) . . ?
O11 P3 O10 113.82(12) . . ?
O11 P3 O12 112.49(13) . . ?
O10 P3 O12 109.96(12) . . ?
O11 P3 O9 109.24(12) . . ?
O10 P3 O9 108.97(11) . . ?
O12 P3 O9 101.61(12) . . ?
O16 P4 O13 115.24(12) . . ?
O16 P4 O15 110.34(13) . . ?
O13 P4 O15 109.07(11) . . ?
O16 P4 O14 108.49(12) . . ?
O13 P4 O14 111.40(11) . . ?
O15 P4 O14 101.42(11) . . ?
O17 P5 O18 111.59(13) . . ?
O17 P5 O19 113.22(11) . . ?
O18 P5 O19 111.27(13) . . ?
O17 P5 O20 111.76(12) . . ?
O18 P5 O20 102.94(16) . . ?
O19 P5 O20 105.43(13) . . ?
O23 P6 O21 110.36(12) . . ?
O23 P6 O24 115.87(12) . . ?
O21 P6 O24 103.09(11) . . ?
O23 P6 O22 109.83(11) . . ?
O21 P6 O22 109.36(11) . . ?
O24 P6 O22 108.02(11) . . ?


_refine_diff_density_max         2.502
_refine_diff_density_min         -1.283
_refine_diff_density_rms         0.169



_exptl_crystal_recrystallization_method 'From the Melt'
