# Supplementary Information (SI) for Journal of Materials Chemistry A.
# This journal is © The Royal Society of Chemistry 2026

####################################################################### 
# 
# 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_BIVCUMGO
_database_code_depnum_ccdc_archive 'CCDC 2502477'
loop_
_audit_author_name
_audit_author_address
'Chun-Hai Wang'
;Northwestern Polytechnical University
China
;
_audit_update_record             
;
2025-11-12 deposited with the CCDC.	2025-12-19 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_EXPT005_BIVCUMGO            
;
PROBLEM: _exptl_crystal_description is missing
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_DIFF003_BIVCUMGO            
;
PROBLEM: _diffrn_measurement_device_type is missing
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_ATOM007_BIVCUMGO            
;
PROBLEM: _atom_site_aniso_label is missing
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_GEOM001_BIVCUMGO            
;
PROBLEM: _geom_bond_atom_site_label_1 is missing
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_GEOM002_BIVCUMGO            
;
PROBLEM: _geom_bond_atom_site_label_2 is missing
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_GEOM003_BIVCUMGO            
;
PROBLEM: _geom_bond_distance is missing
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_GEOM006_BIVCUMGO            
;
PROBLEM: _geom_angle_atom_site_label_2 is missing
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_GEOM007_BIVCUMGO            
;
PROBLEM: _geom_angle_atom_site_label_3 is missing
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_GEOM008_BIVCUMGO            
;
PROBLEM: _geom_angle is missing
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_PLAT029_BIVCUMGO            
;
PROBLEM: _diffrn_measured_fraction_theta_full value Low .      0.000 Why?
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_PLAT043_BIVCUMGO            
;
PROBLEM: Calculated and Reported Mol. Weight Differ by ..    1084.62 Check
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_PLAT183_BIVCUMGO            
;
PROBLEM: Missing _cell_measurement_reflns_used Value ....     Please Do !
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_PLAT184_BIVCUMGO            
;
PROBLEM: Missing _cell_measurement_theta_min   Value ....     Please Do !
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_PLAT185_BIVCUMGO            
;
PROBLEM: Missing _cell_measurement_theta_max   Value ....     Please Do !
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_PLAT197_BIVCUMGO            
;
PROBLEM: Missing _cell_measurement_temperature Datum ....     Please Add
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_PLAT198_BIVCUMGO            
;
PROBLEM: Missing _diffrn_ambient_temperature   Datum ....     Please Add
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_PLAT699_BIVCUMGO            
;
PROBLEM: Missing _exptl_crystal_description Value .......     Please Do !
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_PLAT880_BIVCUMGO            
;
PROBLEM: No datum for _diffrn_reflns_number supplied ....     Please Do !
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_PLAT881_BIVCUMGO            
;
PROBLEM: No Datum for _diffrn_reflns_av_R_equivalents ...     Please Do !
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_PLAT077_BIVCUMGO            
;
PROBLEM: Unit-Cell Contains Non-integer Number of Atoms .     Please Check
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_PLAT202_BIVCUMGO            
;
PROBLEM: Isotropic non-H Atoms in Anion/Solvent .........          1 Check
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
# Added during the CSD deposition process: Wednesday 12 November 2025 02:54 PM
# end Validation Reply Form

_chemical_name_mineral           ?BiVCuMg_175?
_cell_length_a                   3.94330(10)
_cell_length_b                   3.94330(10)
_cell_length_c                   15.4978(4)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     240.984(14)
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_H-M   I4/mmm
_space_group_IT_number           139
_diffrn_radiation_wavelength     1.5406
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z '
'-x, -y, z '
'-x, y, -z '
'-x, y, z '
'-y, -x, -z '
'-y, -x, z '
'-y, x, -z '
'-y, x, z '
'y, -x, -z '
'y, -x, z '
'y, x, -z '
'y, x, z '
'x, -y, -z '
'x, -y, z '
'x, y, -z '
'-x, -y, -z '
'x+1/2, y+1/2, z+1/2 '
'-x+1/2, -y+1/2, z+1/2 '
'-x+1/2, y+1/2, -z+1/2 '
'-x+1/2, y+1/2, z+1/2 '
'-y+1/2, -x+1/2, -z+1/2 '
'-y+1/2, -x+1/2, z+1/2 '
'-y+1/2, x+1/2, -z+1/2 '
'-y+1/2, x+1/2, z+1/2 '
'y+1/2, -x+1/2, -z+1/2 '
'y+1/2, -x+1/2, z+1/2 '
'y+1/2, x+1/2, -z+1/2 '
'y+1/2, x+1/2, z+1/2 '
'x+1/2, -y+1/2, -z+1/2 '
'x+1/2, -y+1/2, z+1/2 '
'x+1/2, y+1/2, -z+1/2 '
'-x+1/2, -y+1/2, -z+1/2 '
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_B_iso_or_equiv
Bi1 Bi+3 4 0.5 0.5 0.16865(7) 1 1.93(4)
V1 V+5 2 0 0 0 0.7875 0.50(14)
Cu1 Cu+2 2 0 0 0 0.04375 0.50(14)
Mg1 Mg+2 2 0 0 0 0.04375 0.50(14)
O1 O-2 4 0.5 1 0.25 1 4.0(5)
O2 O-2 8 0 0.5 0.019(3) 0.451(18) 6.0(11)
O3 O-2 4 0.5 0.5 0.387(10) 0.17(10) 4(2)
O4 O-2 16 0.70(4) 0.5 0.402(5) 0.11(3) 4(2)
####################################################################### 
# 
# 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_BIVCUMGO_CCDC1
_database_code_depnum_ccdc_archive 'CCDC 2502480'
loop_
_audit_author_name
_audit_author_address
'Chun-Hai Wang'
;Northwestern Polytechnical University
China
;
_audit_update_record             
;
2025-11-12 deposited with the CCDC.	2025-12-19 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_EXPT005_BIVCUMGO            
;
PROBLEM: _exptl_crystal_description is missing
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_DIFF003_BIVCUMGO            
;
PROBLEM: _diffrn_measurement_device_type is missing
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_ATOM007_BIVCUMGO            
;
PROBLEM: _atom_site_aniso_label is missing
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_GEOM001_BIVCUMGO            
;
PROBLEM: _geom_bond_atom_site_label_1 is missing
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_GEOM002_BIVCUMGO            
;
PROBLEM: _geom_bond_atom_site_label_2 is missing
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_GEOM003_BIVCUMGO            
;
PROBLEM: _geom_bond_distance is missing
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_GEOM006_BIVCUMGO            
;
PROBLEM: _geom_angle_atom_site_label_2 is missing
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_GEOM007_BIVCUMGO            
;
PROBLEM: _geom_angle_atom_site_label_3 is missing
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_GEOM008_BIVCUMGO            
;
PROBLEM: _geom_angle is missing
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_PLAT029_BIVCUMGO            
;
PROBLEM: _diffrn_measured_fraction_theta_full value Low .      0.000 Why?
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_PLAT043_BIVCUMGO            
;
PROBLEM: Calculated and Reported Mol. Weight Differ by ..    1099.57 Check
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_PLAT183_BIVCUMGO            
;
PROBLEM: Missing _cell_measurement_reflns_used Value ....     Please Do !
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_PLAT184_BIVCUMGO            
;
PROBLEM: Missing _cell_measurement_theta_min   Value ....     Please Do !
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_PLAT185_BIVCUMGO            
;
PROBLEM: Missing _cell_measurement_theta_max   Value ....     Please Do !
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_PLAT197_BIVCUMGO            
;
PROBLEM: Missing _cell_measurement_temperature Datum ....     Please Add
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_PLAT198_BIVCUMGO            
;
PROBLEM: Missing _diffrn_ambient_temperature   Datum ....     Please Add
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_PLAT699_BIVCUMGO            
;
PROBLEM: Missing _exptl_crystal_description Value .......     Please Do !
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_PLAT880_BIVCUMGO            
;
PROBLEM: No datum for _diffrn_reflns_number supplied ....     Please Do !
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_PLAT881_BIVCUMGO            
;
PROBLEM: No Datum for _diffrn_reflns_av_R_equivalents ...     Please Do !
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_PLAT077_BIVCUMGO            
;
PROBLEM: Unit-Cell Contains Non-integer Number of Atoms .     Please Check
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_PLAT202_BIVCUMGO            
;
PROBLEM: Isotropic non-H Atoms in Anion/Solvent .........          1 Check
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
# Added during the CSD deposition process: Wednesday 12 November 2025 02:54 PM
# end Validation Reply Form

_chemical_name_mineral           ?BiVCuMgO19?
_cell_length_a                   3.93400(4)
_cell_length_b                   3.93400(4)
_cell_length_c                   15.48896(16)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     239.713(6)
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_H-M   I4/mmm
_space_group_IT_number           139
_diffrn_radiation_wavelength     1.5406
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z '
'-x, -y, z '
'-x, y, -z '
'-x, y, z '
'-y, -x, -z '
'-y, -x, z '
'-y, x, -z '
'-y, x, z '
'y, -x, -z '
'y, -x, z '
'y, x, -z '
'y, x, z '
'x, -y, -z '
'x, -y, z '
'x, y, -z '
'-x, -y, -z '
'x+1/2, y+1/2, z+1/2 '
'-x+1/2, -y+1/2, z+1/2 '
'-x+1/2, y+1/2, -z+1/2 '
'-x+1/2, y+1/2, z+1/2 '
'-y+1/2, -x+1/2, -z+1/2 '
'-y+1/2, -x+1/2, z+1/2 '
'-y+1/2, x+1/2, -z+1/2 '
'-y+1/2, x+1/2, z+1/2 '
'y+1/2, -x+1/2, -z+1/2 '
'y+1/2, -x+1/2, z+1/2 '
'y+1/2, x+1/2, -z+1/2 '
'y+1/2, x+1/2, z+1/2 '
'x+1/2, -y+1/2, -z+1/2 '
'x+1/2, -y+1/2, z+1/2 '
'x+1/2, y+1/2, -z+1/2 '
'-x+1/2, -y+1/2, -z+1/2 '
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_B_iso_or_equiv
Bi1 Bi+3 4 0.5 0.5 0.16853(6) 1 1.32(3)
V1 V+5 2 0 0 0 0.855 1.73(13)
Cu1 Cu+2 2 0 0 0 0.0475 1.73(13)
Mg1 Mg+2 2 0 0 0 0.0475 1.73(13)
O1 O-2 4 0.5 1 0.25 1 2.0(4)
O2 O-2 8 0 0.5 0.017(3) 0.449(17) 6.0(11)
O3 O-2 4 0.5 0.5 0.387(9) 0.25(14) 4(2)
O4 O-2 16 0.68(4) 0.5 0.402(6) 0.12(4) 4(2)
####################################################################### 
# 
# 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_BIVCUMGO_CCDC2
_database_code_depnum_ccdc_archive 'CCDC 2502478'
loop_
_audit_author_name
_audit_author_address
'Chun-Hai Wang'
;Northwestern Polytechnical University
China
;
_audit_update_record             
;
2025-11-12 deposited with the CCDC.	2025-12-19 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_EXPT005_BIVCUMGO            
;
PROBLEM: _exptl_crystal_description is missing
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_DIFF003_BIVCUMGO            
;
PROBLEM: _diffrn_measurement_device_type is missing
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_ATOM007_BIVCUMGO            
;
PROBLEM: _atom_site_aniso_label is missing
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_GEOM001_BIVCUMGO            
;
PROBLEM: _geom_bond_atom_site_label_1 is missing
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_GEOM002_BIVCUMGO            
;
PROBLEM: _geom_bond_atom_site_label_2 is missing
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_GEOM003_BIVCUMGO            
;
PROBLEM: _geom_bond_distance is missing
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_GEOM006_BIVCUMGO            
;
PROBLEM: _geom_angle_atom_site_label_2 is missing
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_GEOM007_BIVCUMGO            
;
PROBLEM: _geom_angle_atom_site_label_3 is missing
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_GEOM008_BIVCUMGO            
;
PROBLEM: _geom_angle is missing
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_PLAT029_BIVCUMGO            
;
PROBLEM: _diffrn_measured_fraction_theta_full value Low .      0.000 Why?
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_PLAT043_BIVCUMGO            
;
PROBLEM: Calculated and Reported Mol. Weight Differ by ..    1088.91 Check
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_PLAT183_BIVCUMGO            
;
PROBLEM: Missing _cell_measurement_reflns_used Value ....     Please Do !
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_PLAT184_BIVCUMGO            
;
PROBLEM: Missing _cell_measurement_theta_min   Value ....     Please Do !
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_PLAT185_BIVCUMGO            
;
PROBLEM: Missing _cell_measurement_theta_max   Value ....     Please Do !
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_PLAT197_BIVCUMGO            
;
PROBLEM: Missing _cell_measurement_temperature Datum ....     Please Add
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_PLAT198_BIVCUMGO            
;
PROBLEM: Missing _diffrn_ambient_temperature   Datum ....     Please Add
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_PLAT699_BIVCUMGO            
;
PROBLEM: Missing _exptl_crystal_description Value .......     Please Do !
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_PLAT880_BIVCUMGO            
;
PROBLEM: No datum for _diffrn_reflns_number supplied ....     Please Do !
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_PLAT881_BIVCUMGO            
;
PROBLEM: No Datum for _diffrn_reflns_av_R_equivalents ...     Please Do !
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_PLAT077_BIVCUMGO            
;
PROBLEM: Unit-Cell Contains Non-integer Number of Atoms .     Please Check
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_PLAT202_BIVCUMGO            
;
PROBLEM: Isotropic non-H Atoms in Anion/Solvent .........          1 Check
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
# Added during the CSD deposition process: Wednesday 12 November 2025 02:54 PM
# end Validation Reply Form

_chemical_name_mineral           ?BiVCuMgO18?
_cell_length_a                   3.94017(11)
_cell_length_b                   3.94017(11)
_cell_length_c                   15.4821(5)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     240.359(15)
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_H-M   I4/mmm
_space_group_IT_number           139
_diffrn_radiation_wavelength     1.5406
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z '
'-x, -y, z '
'-x, y, -z '
'-x, y, z '
'-y, -x, -z '
'-y, -x, z '
'-y, x, -z '
'-y, x, z '
'y, -x, -z '
'y, -x, z '
'y, x, -z '
'y, x, z '
'x, -y, -z '
'x, -y, z '
'x, y, -z '
'-x, -y, -z '
'x+1/2, y+1/2, z+1/2 '
'-x+1/2, -y+1/2, z+1/2 '
'-x+1/2, y+1/2, -z+1/2 '
'-x+1/2, y+1/2, z+1/2 '
'-y+1/2, -x+1/2, -z+1/2 '
'-y+1/2, -x+1/2, z+1/2 '
'-y+1/2, x+1/2, -z+1/2 '
'-y+1/2, x+1/2, z+1/2 '
'y+1/2, -x+1/2, -z+1/2 '
'y+1/2, -x+1/2, z+1/2 '
'y+1/2, x+1/2, -z+1/2 '
'y+1/2, x+1/2, z+1/2 '
'x+1/2, -y+1/2, -z+1/2 '
'x+1/2, -y+1/2, z+1/2 '
'x+1/2, y+1/2, -z+1/2 '
'-x+1/2, -y+1/2, -z+1/2 '
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_B_iso_or_equiv
Bi1 Bi+3 4 0.5 0.5 0.16793(11) 1 2.54(7)
V1 V+5 2 0 0 0 0.81 1.0(2)
Cu1 Cu+2 2 0 0 0 0.045 1.0(2)
Mg1 Mg+2 2 0 0 0 0.045 1.0(2)
O1 O-2 4 0.5 1 0.25 1 3.6(9)
O2 O-2 8 0 0.5 0.017(5) 0.49(3) 4.6(17)
O3 O-2 4 0.5 0.5 0.387(18) 0.2(2) 5(6)
O4 O-2 16 0.70(9) 0.5 0.402(15) 0.09(6) 5(6)
####################################################################### 
# 
# 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_BIVCUMGO_CCDC3
_database_code_depnum_ccdc_archive 'CCDC 2502481'
loop_
_audit_author_name
_audit_author_address
'Chun-Hai Wang'
;Northwestern Polytechnical University
China
;
_audit_update_record             
;
2025-11-12 deposited with the CCDC.	2025-12-19 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_EXPT005_BIVCUMGO            
;
PROBLEM: _exptl_crystal_description is missing
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_DIFF003_BIVCUMGO            
;
PROBLEM: _diffrn_measurement_device_type is missing
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_ATOM007_BIVCUMGO            
;
PROBLEM: _atom_site_aniso_label is missing
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_GEOM001_BIVCUMGO            
;
PROBLEM: _geom_bond_atom_site_label_1 is missing
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_GEOM002_BIVCUMGO            
;
PROBLEM: _geom_bond_atom_site_label_2 is missing
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_GEOM003_BIVCUMGO            
;
PROBLEM: _geom_bond_distance is missing
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_GEOM006_BIVCUMGO            
;
PROBLEM: _geom_angle_atom_site_label_2 is missing
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_GEOM007_BIVCUMGO            
;
PROBLEM: _geom_angle_atom_site_label_3 is missing
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_GEOM008_BIVCUMGO            
;
PROBLEM: _geom_angle is missing
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_PLAT029_BIVCUMGO            
;
PROBLEM: _diffrn_measured_fraction_theta_full value Low .      0.000 Why?
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_PLAT043_BIVCUMGO            
;
PROBLEM: Calculated and Reported Mol. Weight Differ by ..    1103.35 Check
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_PLAT183_BIVCUMGO            
;
PROBLEM: Missing _cell_measurement_reflns_used Value ....     Please Do !
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_PLAT184_BIVCUMGO            
;
PROBLEM: Missing _cell_measurement_theta_min   Value ....     Please Do !
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_PLAT185_BIVCUMGO            
;
PROBLEM: Missing _cell_measurement_theta_max   Value ....     Please Do !
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_PLAT197_BIVCUMGO            
;
PROBLEM: Missing _cell_measurement_temperature Datum ....     Please Add
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_PLAT198_BIVCUMGO            
;
PROBLEM: Missing _diffrn_ambient_temperature   Datum ....     Please Add
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_PLAT699_BIVCUMGO            
;
PROBLEM: Missing _exptl_crystal_description Value .......     Please Do !
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_PLAT880_BIVCUMGO            
;
PROBLEM: No datum for _diffrn_reflns_number supplied ....     Please Do !
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_PLAT881_BIVCUMGO            
;
PROBLEM: No Datum for _diffrn_reflns_av_R_equivalents ...     Please Do !
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_PLAT077_BIVCUMGO            
;
PROBLEM: Unit-Cell Contains Non-integer Number of Atoms .     Please Check
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_PLAT202_BIVCUMGO            
;
PROBLEM: Isotropic non-H Atoms in Anion/Solvent .........          1 Check
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
# Added during the CSD deposition process: Wednesday 12 November 2025 02:54 PM
# end Validation Reply Form

_chemical_name_mineral           ?BiVCuMg_195?
_cell_length_a                   3.92888(3)
_cell_length_b                   3.92888(3)
_cell_length_c                   15.47380(13)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     238.855(4)
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_H-M   I4/mmm
_space_group_IT_number           139
_diffrn_radiation_wavelength     1.5406
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z '
'-x, -y, z '
'-x, y, -z '
'-x, y, z '
'-y, -x, -z '
'-y, -x, z '
'-y, x, -z '
'-y, x, z '
'y, -x, -z '
'y, -x, z '
'y, x, -z '
'y, x, z '
'x, -y, -z '
'x, -y, z '
'x, y, -z '
'-x, -y, -z '
'x+1/2, y+1/2, z+1/2 '
'-x+1/2, -y+1/2, z+1/2 '
'-x+1/2, y+1/2, -z+1/2 '
'-x+1/2, y+1/2, z+1/2 '
'-y+1/2, -x+1/2, -z+1/2 '
'-y+1/2, -x+1/2, z+1/2 '
'-y+1/2, x+1/2, -z+1/2 '
'-y+1/2, x+1/2, z+1/2 '
'y+1/2, -x+1/2, -z+1/2 '
'y+1/2, -x+1/2, z+1/2 '
'y+1/2, x+1/2, -z+1/2 '
'y+1/2, x+1/2, z+1/2 '
'x+1/2, -y+1/2, -z+1/2 '
'x+1/2, -y+1/2, z+1/2 '
'x+1/2, y+1/2, -z+1/2 '
'-x+1/2, -y+1/2, -z+1/2 '
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_B_iso_or_equiv
Bi1 Bi+3 4 0.5 0.5 0.16820(4) 1 1.18(2)
V1 V+5 2 0 0 0 0.8775 1.65(10)
Cu1 Cu+2 2 0 0 0 0.04875 1.65(10)
Mg1 Mg+2 2 0 0 0 0.04875 1.65(10)
O1 O-2 4 0.5 1 0.25 1 1.59(5)
O2 O-2 8 0 0.5 0.0280(4) 0.408(4) 6.0(2)
O3 O-2 4 0.5 0.5 0.3879(10) 0.240(11) 3.4(2)
O4 O-2 16 0.694(3) 0.5 0.4037(6) 0.148(3) 3.4(2)
####################################################################### 
# 
# 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_BIVCUMGO_CCDC4
_database_code_depnum_ccdc_archive 'CCDC 2502479'
loop_
_audit_author_name
_audit_author_address
'Chun-Hai Wang'
;Northwestern Polytechnical University
China
;
_audit_update_record             
;
2025-11-12 deposited with the CCDC.	2025-12-19 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_EXPT005_BIVCUMGO            
;
PROBLEM: _exptl_crystal_description is missing
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_DIFF003_BIVCUMGO            
;
PROBLEM: _diffrn_measurement_device_type is missing
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_ATOM007_BIVCUMGO            
;
PROBLEM: _atom_site_aniso_label is missing
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_GEOM001_BIVCUMGO            
;
PROBLEM: _geom_bond_atom_site_label_1 is missing
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_GEOM002_BIVCUMGO            
;
PROBLEM: _geom_bond_atom_site_label_2 is missing
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_GEOM003_BIVCUMGO            
;
PROBLEM: _geom_bond_distance is missing
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_GEOM006_BIVCUMGO            
;
PROBLEM: _geom_angle_atom_site_label_2 is missing
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_GEOM007_BIVCUMGO            
;
PROBLEM: _geom_angle_atom_site_label_3 is missing
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_GEOM008_BIVCUMGO            
;
PROBLEM: _geom_angle is missing
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_PLAT029_BIVCUMGO            
;
PROBLEM: _diffrn_measured_fraction_theta_full value Low .      0.000 Why?
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_PLAT043_BIVCUMGO            
;
PROBLEM: Calculated and Reported Mol. Weight Differ by ..    1095.27 Check
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_PLAT183_BIVCUMGO            
;
PROBLEM: Missing _cell_measurement_reflns_used Value ....     Please Do !
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_PLAT184_BIVCUMGO            
;
PROBLEM: Missing _cell_measurement_theta_min   Value ....     Please Do !
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_PLAT185_BIVCUMGO            
;
PROBLEM: Missing _cell_measurement_theta_max   Value ....     Please Do !
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_PLAT197_BIVCUMGO            
;
PROBLEM: Missing _cell_measurement_temperature Datum ....     Please Add
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_PLAT198_BIVCUMGO            
;
PROBLEM: Missing _diffrn_ambient_temperature   Datum ....     Please Add
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_PLAT699_BIVCUMGO            
;
PROBLEM: Missing _exptl_crystal_description Value .......     Please Do !
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_PLAT880_BIVCUMGO            
;
PROBLEM: No datum for _diffrn_reflns_number supplied ....     Please Do !
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_PLAT881_BIVCUMGO            
;
PROBLEM: No Datum for _diffrn_reflns_av_R_equivalents ...     Please Do !
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_PLAT077_BIVCUMGO            
;
PROBLEM: Unit-Cell Contains Non-integer Number of Atoms .     Please Check
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_PLAT202_BIVCUMGO            
;
PROBLEM: Isotropic non-H Atoms in Anion/Solvent .........          1 Check
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
# Added during the CSD deposition process: Wednesday 12 November 2025 02:54 PM
# end Validation Reply Form

_chemical_name_mineral           ?BiVCuMg_185?
_cell_length_a                   3.93504(3)
_cell_length_b                   3.93504(3)
_cell_length_c                   15.48332(15)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     239.751(4)
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_H-M   I4/mmm
_space_group_IT_number           139
_diffrn_radiation_wavelength     1.5406
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z '
'-x, -y, z '
'-x, y, -z '
'-x, y, z '
'-y, -x, -z '
'-y, -x, z '
'-y, x, -z '
'-y, x, z '
'y, -x, -z '
'y, -x, z '
'y, x, -z '
'y, x, z '
'x, -y, -z '
'x, -y, z '
'x, y, -z '
'-x, -y, -z '
'x+1/2, y+1/2, z+1/2 '
'-x+1/2, -y+1/2, z+1/2 '
'-x+1/2, y+1/2, -z+1/2 '
'-x+1/2, y+1/2, z+1/2 '
'-y+1/2, -x+1/2, -z+1/2 '
'-y+1/2, -x+1/2, z+1/2 '
'-y+1/2, x+1/2, -z+1/2 '
'-y+1/2, x+1/2, z+1/2 '
'y+1/2, -x+1/2, -z+1/2 '
'y+1/2, -x+1/2, z+1/2 '
'y+1/2, x+1/2, -z+1/2 '
'y+1/2, x+1/2, z+1/2 '
'x+1/2, -y+1/2, -z+1/2 '
'x+1/2, -y+1/2, z+1/2 '
'x+1/2, y+1/2, -z+1/2 '
'-x+1/2, -y+1/2, -z+1/2 '
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_B_iso_or_equiv
Bi1 Bi+3 4 0.5 0.5 0.16894(6) 1 1.36(3)
V1 V+5 2 0 0 0 0.8325 0.82(12)
Cu1 Cu+2 2 0 0 0 0.04625 0.82(12)
Mg1 Mg+2 2 0 0 0 0.04625 0.82(12)
O1 O-2 4 0.5 1 0.25 1 1.2(3)
O2 O-2 8 0 0.5 0.027(2) 0.455(18) 5.0(9)
O3 O-2 4 0.5 0.5 0.388(5) 0.25(7) 3.0(17)
O4 O-2 16 0.71(3) 0.5 0.404(5) 0.11(2) 3.0(17)
####################################################################### 
# 
# 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_BIVCUMGO_CCDC5
_database_code_depnum_ccdc_archive 'CCDC 2502482'
loop_
_audit_author_name
_audit_author_address
'Chun-Hai Wang'
;Northwestern Polytechnical University
China
;
_audit_update_record             
;
2025-11-12 deposited with the CCDC.	2025-12-19 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_EXPT005_BIVCUMGO            
;
PROBLEM: _exptl_crystal_description is missing
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_DIFF003_BIVCUMGO            
;
PROBLEM: _diffrn_measurement_device_type is missing
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_ATOM007_BIVCUMGO            
;
PROBLEM: _atom_site_aniso_label is missing
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_GEOM001_BIVCUMGO            
;
PROBLEM: _geom_bond_atom_site_label_1 is missing
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_GEOM002_BIVCUMGO            
;
PROBLEM: _geom_bond_atom_site_label_2 is missing
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_GEOM003_BIVCUMGO            
;
PROBLEM: _geom_bond_distance is missing
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_GEOM006_BIVCUMGO            
;
PROBLEM: _geom_angle_atom_site_label_2 is missing
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_GEOM007_BIVCUMGO            
;
PROBLEM: _geom_angle_atom_site_label_3 is missing
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_GEOM008_BIVCUMGO            
;
PROBLEM: _geom_angle is missing
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_PLAT029_BIVCUMGO            
;
PROBLEM: _diffrn_measured_fraction_theta_full value Low .      0.000 Why?
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_PLAT043_BIVCUMGO            
;
PROBLEM: Calculated and Reported Mol. Weight Differ by ..    1107.53 Check
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_PLAT183_BIVCUMGO            
;
PROBLEM: Missing _cell_measurement_reflns_used Value ....     Please Do !
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_PLAT184_BIVCUMGO            
;
PROBLEM: Missing _cell_measurement_theta_min   Value ....     Please Do !
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_PLAT185_BIVCUMGO            
;
PROBLEM: Missing _cell_measurement_theta_max   Value ....     Please Do !
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_PLAT197_BIVCUMGO            
;
PROBLEM: Missing _cell_measurement_temperature Datum ....     Please Add
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_PLAT198_BIVCUMGO            
;
PROBLEM: Missing _diffrn_ambient_temperature   Datum ....     Please Add
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_PLAT699_BIVCUMGO            
;
PROBLEM: Missing _exptl_crystal_description Value .......     Please Do !
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_PLAT880_BIVCUMGO            
;
PROBLEM: No datum for _diffrn_reflns_number supplied ....     Please Do !
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_PLAT881_BIVCUMGO            
;
PROBLEM: No Datum for _diffrn_reflns_av_R_equivalents ...     Please Do !
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_PLAT077_BIVCUMGO            
;
PROBLEM: Unit-Cell Contains Non-integer Number of Atoms .     Please Check
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_PLAT202_BIVCUMGO            
;
PROBLEM: Isotropic non-H Atoms in Anion/Solvent .........          1 Check
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
# Added during the CSD deposition process: Wednesday 12 November 2025 02:54 PM
# end Validation Reply Form

_chemical_name_mineral           ?BiVCuMg_20?
_cell_length_a                   3.92788(8)
_cell_length_b                   3.92788(8)
_cell_length_c                   15.4738(3)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     238.734(10)
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_H-M   I4/mmm
_space_group_IT_number           139
_diffrn_radiation_wavelength     1.5406
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z '
'-x, -y, z '
'-x, y, -z '
'-x, y, z '
'-y, -x, -z '
'-y, -x, z '
'-y, x, -z '
'-y, x, z '
'y, -x, -z '
'y, -x, z '
'y, x, -z '
'y, x, z '
'x, -y, -z '
'x, -y, z '
'x, y, -z '
'-x, -y, -z '
'x+1/2, y+1/2, z+1/2 '
'-x+1/2, -y+1/2, z+1/2 '
'-x+1/2, y+1/2, -z+1/2 '
'-x+1/2, y+1/2, z+1/2 '
'-y+1/2, -x+1/2, -z+1/2 '
'-y+1/2, -x+1/2, z+1/2 '
'-y+1/2, x+1/2, -z+1/2 '
'-y+1/2, x+1/2, z+1/2 '
'y+1/2, -x+1/2, -z+1/2 '
'y+1/2, -x+1/2, z+1/2 '
'y+1/2, x+1/2, -z+1/2 '
'y+1/2, x+1/2, z+1/2 '
'x+1/2, -y+1/2, -z+1/2 '
'x+1/2, -y+1/2, z+1/2 '
'x+1/2, y+1/2, -z+1/2 '
'-x+1/2, -y+1/2, -z+1/2 '
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_B_iso_or_equiv
Bi1 Bi+3 4 0.5 0.5 0.16890(5) 1 0.97(2)
V1 V+5 2 0 0 0 0.9 2.7(3)
Cu1 Cu+2 2 0 0 0 0.05 2.7(3)
Mg1 Mg+2 2 0 0 0 0.05 2.7(3)
O1 O-2 4 0.5 1 0.25 1 1.46(3)
O2 O-2 8 0 0.5 0.0283(2) 0.401(2) 4.37(10)
O3 O-2 4 0.5 0.5 0.3903(6) 0.236(6) 3.40(11)
O4 O-2 16 0.6911(17) 0.5 0.4037(4) 0.159(2) 3.40(11)
####################################################################### 
# 
# 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_BIVCUMGO_CCDC6
_database_code_depnum_ccdc_archive 'CCDC 2502483'
loop_
_audit_author_name
_audit_author_address
'Chun-Hai Wang'
;Northwestern Polytechnical University
China
;
_audit_update_record             
;
2025-11-12 deposited with the CCDC.	2025-12-19 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_EXPT005_BIVCUMGO            
;
PROBLEM: _exptl_crystal_description is missing
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
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_vrf_DIFF003_BIVCUMGO            
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PROBLEM: _diffrn_measurement_device_type is missing
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
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_vrf_ATOM007_BIVCUMGO            
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PROBLEM: _atom_site_aniso_label is missing
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
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_vrf_GEOM001_BIVCUMGO            
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PROBLEM: _geom_bond_atom_site_label_1 is missing
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
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_vrf_GEOM002_BIVCUMGO            
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PROBLEM: _geom_bond_atom_site_label_2 is missing
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
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_vrf_GEOM003_BIVCUMGO            
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PROBLEM: _geom_bond_distance is missing
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
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_vrf_GEOM006_BIVCUMGO            
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PROBLEM: _geom_angle_atom_site_label_2 is missing
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_GEOM007_BIVCUMGO            
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PROBLEM: _geom_angle_atom_site_label_3 is missing
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_GEOM008_BIVCUMGO            
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PROBLEM: _geom_angle is missing
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_PLAT029_BIVCUMGO            
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PROBLEM: _diffrn_measured_fraction_theta_full value Low .      0.000 Why?
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_PLAT043_BIVCUMGO            
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PROBLEM: Calculated and Reported Mol. Weight Differ by ..     542.37 Check
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
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_vrf_PLAT183_BIVCUMGO            
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PROBLEM: Missing _cell_measurement_reflns_used Value ....     Please Do !
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_PLAT184_BIVCUMGO            
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PROBLEM: Missing _cell_measurement_theta_min   Value ....     Please Do !
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
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_vrf_PLAT185_BIVCUMGO            
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PROBLEM: Missing _cell_measurement_theta_max   Value ....     Please Do !
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_PLAT197_BIVCUMGO            
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PROBLEM: Missing _cell_measurement_temperature Datum ....     Please Add
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_PLAT198_BIVCUMGO            
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PROBLEM: Missing _diffrn_ambient_temperature   Datum ....     Please Add
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_PLAT699_BIVCUMGO            
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PROBLEM: Missing _exptl_crystal_description Value .......     Please Do !
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_PLAT880_BIVCUMGO            
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PROBLEM: No datum for _diffrn_reflns_number supplied ....     Please Do !
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_PLAT881_BIVCUMGO            
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PROBLEM: No Datum for _diffrn_reflns_av_R_equivalents ...     Please Do !
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
_vrf_PLAT077_BIVCUMGO            
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PROBLEM: Unit-Cell Contains Non-integer Number of Atoms .     Please Check
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
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_vrf_PLAT202_BIVCUMGO            
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PROBLEM: Isotropic non-H Atoms in Anion/Solvent .........          1 Check
RESPONSE: quick CIF from Rietveld refinements of powder diffraction
;
# Added during the CSD deposition process: Wednesday 12 November 2025 02:54 PM
# end Validation Reply Form

_chemical_name_mineral           ?BiVCuMg_205?
_cell_length_a                   3.92477(3)
_cell_length_b                   3.92477(3)
_cell_length_c                   15.44306(14)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     237.882(4)
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_H-M   I4/mmm
_space_group_IT_number           139
_diffrn_radiation_wavelength     1.5406
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z '
'-x, -y, z '
'-x, y, -z '
'-x, y, z '
'-y, -x, -z '
'-y, -x, z '
'-y, x, -z '
'-y, x, z '
'y, -x, -z '
'y, -x, z '
'y, x, -z '
'y, x, z '
'x, -y, -z '
'x, -y, z '
'x, y, -z '
'-x, -y, -z '
'x+1/2, y+1/2, z+1/2 '
'-x+1/2, -y+1/2, z+1/2 '
'-x+1/2, y+1/2, -z+1/2 '
'-x+1/2, y+1/2, z+1/2 '
'-y+1/2, -x+1/2, -z+1/2 '
'-y+1/2, -x+1/2, z+1/2 '
'-y+1/2, x+1/2, -z+1/2 '
'-y+1/2, x+1/2, z+1/2 '
'y+1/2, -x+1/2, -z+1/2 '
'y+1/2, -x+1/2, z+1/2 '
'y+1/2, x+1/2, -z+1/2 '
'y+1/2, x+1/2, z+1/2 '
'x+1/2, -y+1/2, -z+1/2 '
'x+1/2, -y+1/2, z+1/2 '
'x+1/2, y+1/2, -z+1/2 '
'-x+1/2, -y+1/2, -z+1/2 '
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_B_iso_or_equiv
Bi1 Bi+3 4 0.5 0.5 0.16872(4) 0.97561 1.290(17)
V1 V+5 2 0 0 0 0.9 3.05(16)
Cu1 Cu+2 2 0 0 0 0.05 3.05(16)
Mg1 Mg+2 2 0 0 0 0.05 3.05(16)
O1 O-2 4 0.5 1 0.25 0.9756098 1.43(3)
O2 O-2 8 0 0.5 0.0284(2) 0.379(2) 4.22(9)
O3 O-2 4 0.5 0.5 0.3912(6) 0.243(7) 4.20(11)
O4 O-2 16 0.6818(18) 0.5 0.4045(3) 0.165(2) 4.20(11)
