LMucko/crystallography-open-database huggingface dataset:
Zr<sup>4+</sup>-terephthalate MOFs with 6-connected structures, highly efficient As(III/V) sorption and superhydrophobic properties.
Pournara, Anastasia D.; Rizogianni, Sofia; Evangelou, Dimitrios A.; Andreou, Evangelos K.; Armatas, Gerasimos S.; Manos, Manolis J.; Chemical communications (Cambridge, England)  (2022) –; doi:10.1039/d2cc03090j

data_7130364
_publ_section_title
;
 Zr<sup>4+</sup>-terephthalate MOFs with 6-connected structures, highly
 efficient As(III/V) sorption and superhydrophobic properties.
;
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_paper_doi               10.1039/d2cc03090j
_journal_year                    2022
_chemical_compound_source        'see text'
_chemical_formula_moiety         'C13.64 H18.22 As N O12.67 Zr2, 3(H2 O)'
_chemical_formula_sum            'C13.64 H24.22 As N O15.67 Zr2'
_chemical_formula_weight         710.27
_space_group_IT_number           146
_space_group_name_Hall           'R 3'
_space_group_name_H-M_alt        'R 3 :H'
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      146
_symmetry_space_group_name_Hall  'R 3'
_symmetry_space_group_name_H-M   'R 3 :H'
_audit_update_record
;
2022-05-31 deposited with the CCDC.	2022-07-14 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            9
_cell_length_a                   14.62(4)
_cell_length_b                   14.62(4)
_cell_length_c                   35.74(10)
_cell_volume                     6616(3)
_computing_cell_refinement       'TOPAS V.6, BRUKER'
_computing_publication_material  'PLATON (Spek, 2003)'
_computing_structure_refinement  'TOPAS V.6, BRUKER'
_diffrn_ambient_temperature      298
_diffrn_measurement_device_type  'BRUKER D2 PHASER'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_exptl_absorpt_coefficient_mu    7.627
_exptl_crystal_density_diffrn    1.604
_exptl_crystal_density_method    'Not Measured'
_exptl_crystal_F_000             3162.5
_cod_data_source_file            d2cc03090j3.cif
_cod_data_source_block           HEXMOFAsIII
_cod_original_cell_volume        6616(41)
_cod_original_sg_symbol_H-M      'R 3'
_cod_database_code               7130364
Resolving the structure of V~3~O~7~·H~2~O and Mo-substituted V~3~O~7~·H~2~O
Schoiber, Jürgen; Söllinger, Daniela; Baran, Volodymyr; Diemant, Thomas; Redhammer, Günther J.; Behm, R. Jurgen; Pokrant, Simone; Acta Crystallographica Section B 78 (2022) –; doi:10.1107/S2052520622006473

data_2109007
_publ_section_title
;
 Resolving the structure of V~3~O~7~&#x00B7;H~2~O and Mo-substituted
 V~3~O~7~&#x00B7;H~2~O
;
_journal_coeditor_code           JE5048SUP1
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first
;
;
_journal_paper_doi               10.1107/S2052520622006473
_journal_volume                  78
_journal_year                    2022
_chemical_formula_iupac          V3O7.H2O
_chemical_formula_moiety         V3O7.H2O
_chemical_formula_sum            'H2 O8 V3'
_chemical_formula_weight         282.84
_space_group_IT_number           62
_space_group_name_Hall           '-P 2c 2n'
_space_group_name_H-M_alt        'P n a m'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2c 2n'
_symmetry_space_group_name_H-M   'P n a m'
_audit_creation_date             06/04/2021
_audit_creation_method           'FullProf Suite'
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   16.8658(5)
_cell_length_b                   9.3282(3)
_cell_length_c                   3.63523(10)
_cell_measurement_temperature    298
_cell_volume                     571.92(3)
_computing_structure_refinement  FULLPROF
_diffrn_ambient_temperature      298
_diffrn_measurement_device_type  SPODI
_diffrn_measurement_method       POWDER
_diffrn_radiation_type           'Constant Wavelength Neutron Diffraction'
_diffrn_radiation_wavelength     1.54820
_diffrn_source                   'nuclear reactor'
_exptl_crystal_density_diffrn    3.2848
_pd_meas_2theta_range_inc        0.050019
_pd_meas_2theta_range_max        151.89999
_pd_meas_2theta_range_min        0.95000
_pd_meas_number_of_points        3020
_pd_proc_2theta_range_inc        0.050019
_pd_proc_2theta_range_max        151.9526
_pd_proc_2theta_range_min        1.0026
_pd_proc_ls_background_function  'linear extrapolation'
_pd_proc_ls_pref_orient_corr     none
_pd_proc_ls_profile_function     pseudo-voigt
_pd_proc_ls_prof_R_factor        1.4889
_pd_proc_ls_prof_wR_expected     1.1432
_pd_proc_ls_prof_wR_factor       1.8606
_pd_proc_wavelength              1.548200
_refine_ls_number_parameters     78
_refine_ls_number_reflns         718
_refine_ls_number_restraints     0
_refine_ls_R_I_factor            4.6453
_cod_data_source_file            je5048sup1.cif
_cod_data_source_block           VO
_cod_original_formula_sum        V3O7.H2O
_cod_database_code               2109007
_cod_database_fobs_code 2109007
Resolving the structure of V~3~O~7~·H~2~O and Mo-substituted V~3~O~7~·H~2~O
Schoiber, Jürgen; Söllinger, Daniela; Baran, Volodymyr; Diemant, Thomas; Redhammer, Günther J.; Behm, R. Jurgen; Pokrant, Simone; Acta Crystallographica Section B 78 (2022) –; doi:10.1107/S2052520622006473

data_2109008
_publ_section_title
;
 Resolving the structure of V~3~O~7~&#x00B7;H~2~O and Mo-substituted
 V~3~O~7~&#x00B7;H~2~O
;
_journal_coeditor_code           JE5048SUP1
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first
;
;
_journal_paper_doi               10.1107/S2052520622006473
_journal_volume                  78
_journal_year                    2022
_chemical_formula_iupac          V2.85Mo0.15O7.H2O
_chemical_formula_moiety         V2.85Mo0.15O7.H2O
_chemical_formula_sum            'H2 Mo0.15 O8 V2.85'
_chemical_formula_weight         289.58
_space_group_IT_number           62
_space_group_name_Hall           '-P 2c 2n'
_space_group_name_H-M_alt        'P n a m'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2c 2n'
_symmetry_space_group_name_H-M   'P n a m'
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   16.8790(12)
_cell_length_b                   9.3325(5)
_cell_length_c                   3.64357(19)
_cell_measurement_temperature    298
_cell_volume                     573.95(6)
_computing_structure_refinement  FULLPROF
_diffrn_ambient_temperature      298
_diffrn_measurement_device_type  'Bruker D8 Advance'
_diffrn_radiation_type           "'Cu K\a"
_diffrn_source                   'rotating-anode X-ray tube'
_diffrn_source_target            Cu
_exptl_crystal_density_diffrn    3.3549
_pd_meas_2theta_range_inc        0.010239
_pd_meas_2theta_range_max        94.99821
_pd_meas_2theta_range_min        5.06154
_pd_meas_number_of_points        8784
_pd_proc_2theta_range_inc        0.010239
_pd_proc_2theta_range_max        94.9821
_pd_proc_2theta_range_min        5.0454
_pd_proc_ls_prof_R_factor        6.7189
_pd_proc_ls_prof_wR_expected     2.8378
_pd_proc_ls_prof_wR_factor       9.2447
_pd_proc_wavelength              1.540560
_refine_ls_number_parameters     8
_refine_ls_number_reflns         778
_refine_ls_number_restraints     0
_refine_ls_R_I_factor            7.0756
_cod_data_source_file            je5048sup1.cif
_cod_data_source_block           VMoO
_cod_original_formula_sum        V2.85Mo0.15O7.H2O
_cod_database_code               2109008
_cod_database_fobs_code 2109008
Shuai Huang; Personal communication to COD  (2022) –; doi:

data_3000405
_journal_name_full               'Personal communication to COD'
_journal_year                    2022
_chemical_formula_sum            'Ge4 Mn4 Tb2'
_chemical_name_common            TbMn2Ge2
_space_group_IT_number           139
_space_group_name_Hall           '-I 4 2'
_space_group_name_H-M_alt        'I 4/m m m'
_cell_angle_alpha                90.000000
_cell_angle_beta                 90.000000
_cell_angle_gamma                90.000000
_cell_formula_units_Z            1
_cell_length_a                   3.983290
_cell_length_b                   3.983290
_cell_length_c                   10.830740
_cell_volume                     171.847
_cod_data_source_file            TbMn2Ge2-Generate.cif
_cod_data_source_block           TbMn2Ge2
_cod_depositor_comments
;Releasing structure 3000405 into public domain as personal
 communication to COD.
;
_cod_original_formula_sum        Tb2Mn4Ge4
_cod_database_code               3000405
Chien-Wei Chiang; To be published  () –; doi:

data_3000406
_journal_name_full               'To be published'
_chemical_formula_sum            'C15 H17 N3 O3'
_space_group_name_Hall           'P 2ac 2ab'
_space_group_name_H-M_alt        'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.00990(10)
_cell_length_b                   8.4438(2)
_cell_length_c                   34.9640(7)
_cell_measurement_temperature    296(2)
_cell_volume                     1479.07(5)
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_refine_ls_goodness_of_fit_ref   1.158
_refine_ls_R_factor_all          0.0566
_refine_ls_R_factor_gt           0.0558
_refine_ls_wR_factor_gt          0.1411
_refine_ls_wR_factor_ref         0.1419
_cod_database_code               3000406
_cod_hold_until_date             2023-01-08
Space group and crystal structure of the perovskite CaTiO3 from 296 to 1720 K : ortho phase at 296 K
Ali, R.; Yashima, M.; Journal of Solid State Chemistry 178 (2005) 2867–2872; doi:10.1016/j.jssc.2005.06.027

data_1567488
_publ_section_title
;
 Space group and crystal structure of the perovskite CaTiO3 from 296 to
 1720 K : ortho phase at 296 K
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              2867
_journal_page_last               2872
_journal_paper_doi               10.1016/j.jssc.2005.06.027
_journal_volume                  178
_journal_year                    2005
_chemical_formula_sum            'Ca O3 Ti'
_chemical_name_common            CaTiO3
_chemical_name_mineral           perovskite
_space_group_IT_number           62
_space_group_name_Hall           '-P 2c 2ab'
_space_group_name_H-M_alt        'P b n m'
_cell_angle_alpha                90.000000
_cell_angle_beta                 90.000000
_cell_angle_gamma                90.000000
_cell_formula_units_Z            4
_cell_length_a                   5.3789(2)
_cell_length_b                   5.4361(2)
_cell_length_c                   7.6388(3)
_cell_volume                     223.360(15)
_diffrn_ambient_pressure         100
_diffrn_ambient_temperature      298
_cod_data_source_file            CaTiO3-ortho.cif
_cod_data_source_block           CaTiO3-ortho
_cod_original_cell_volume        223.360
_cod_original_formula_sum        'Ca Ti O3'
_cod_database_code               1567488
Space group and crystal structure of the perovskite CaTiO3 from 296 to 1720 K : tetragonal phase at 1598 K
Ali, R.; Yashima, M.; Journal of Solid State Chemistry 178 (2005) 2867–2872; doi:10.1016/j.jssc.2005.06.027

data_1567489
_publ_section_title
;
 Space group and crystal structure of the perovskite CaTiO3 from 296 to
 1720 K : tetragonal phase at 1598 K
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              2867
_journal_page_last               2872
_journal_paper_doi               10.1016/j.jssc.2005.06.027
_journal_volume                  178
_journal_year                    2005
_chemical_formula_sum            'Ca O3 Ti'
_chemical_name_common            CaTiO3
_chemical_name_mineral           'perovskite at 1598 K'
_space_group_IT_number           140
_space_group_name_Hall           '-I 4 2c'
_space_group_name_H-M_alt        'I 4/m c m'
_cell_angle_alpha                90.000000
_cell_angle_beta                 90.000000
_cell_angle_gamma                90.000000
_cell_formula_units_Z            4
_cell_length_a                   5.4984(4)
_cell_length_b                   5.4984(4)
_cell_length_c                   7.7828(8)
_cell_volume                     235.29(3)
_diffrn_ambient_pressure         100
_diffrn_ambient_temperature      298
_cod_data_source_file            CaTiO3-tetragonal.cif
_cod_data_source_block           CaTiO3-tetragonal
_cod_original_cell_volume        235.293
_cod_original_formula_sum        'Ca Ti O3'
_cod_database_code               1567489
Space group and crystal structure of the perovskite CaTiO3 from 296 to 1720 K : tetragonal phase at 1720 K
Ali, R.; Yashima, M.; Journal of Solid State Chemistry 178 (2005) 2867–2872; doi:10.1016/j.jssc.2005.06.027

data_1567490
_publ_section_title
;
 Space group and crystal structure of the perovskite CaTiO3 from 296 to
 1720 K : tetragonal phase at 1720 K
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              2867
_journal_page_last               2872
_journal_paper_doi               10.1016/j.jssc.2005.06.027
_journal_volume                  178
_journal_year                    2005
_chemical_formula_sum            'Ca O3 Ti'
_chemical_name_common            CaTiO3
_chemical_name_mineral           'perovskite at 1720 K'
_space_group_IT_number           221
_space_group_name_Hall           '-P 4 2 3'
_space_group_name_H-M_alt        'P m -3 m'
_cell_angle_alpha                90.000000
_cell_angle_beta                 90.000000
_cell_angle_gamma                90.000000
_cell_formula_units_Z            1
_cell_length_a                   3.89670(10)
_cell_length_b                   3.89670(10)
_cell_length_c                   3.89670(10)
_cell_volume                     59.169(3)
_diffrn_ambient_pressure         100
_diffrn_ambient_temperature      298
_cod_data_source_file            CaTiO3-cubic.cif
_cod_data_source_block           CaTiO3-tetragonal
_cod_original_cell_volume        59.169
_cod_original_formula_sum        'Ca Ti O3'
_cod_database_code               1567490
Room-temperature luminescence from Pd(ii) and Pt(ii) complexes: from mechanochromic crystals to flexible polymer matrices
Gutierrez Suburu, Matias E.; Maisuls, Iván; Kösters, Jutta; Strassert, Cristian A.; Dalton Transactions  (2022) –; doi:10.1039/D2DT01693A

data_7711031
_publ_section_title
;
 Room-temperature luminescence from Pd(ii) and Pt(ii) complexes: from
 mechanochromic crystals to flexible polymer matrices
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/D2DT01693A
_journal_year                    2022
_chemical_formula_sum            'C63 H52 Cl2 N6 O6 Pt2'
_chemical_formula_weight         1450.180
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_date             2019-10-07
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2022-03-28 deposited with the CCDC.	2022-07-18 downloaded from the CCDC.
;
_cell_angle_alpha                107.524(1)
_cell_angle_beta                 104.817(1)
_cell_angle_gamma                92.049(1)
_cell_formula_units_Z            2
_cell_length_a                   13.3920(3)
_cell_length_b                   14.5002(4)
_cell_length_c                   14.6064(4)
_cell_volume                     2595.16(12)
_refine_ls_R_factor_all          0.028
_cod_data_source_file            d2dt01693a2.cif
_cod_data_source_block           Qa2_sadp-1_a
_cod_original_cell_volume        2595.2(1)
_cod_original_sg_symbol_Hall     -P_1
_cod_database_code               7711031
Visible-light-promoted iron catalyzed C–H functionalization of 1,4-naphthoquinones via oxidative coupling with sulfoximines
Sharma, Alpa; Kour, Harpreet; Kour, Jaspreet; Kamal, Kamal; Sawant, Sanghapal D.; Chemical Communications  (2022) –; doi:10.1039/D2CC03319D

data_7130622
_publ_section_title
;
 Visible-light-promoted iron catalyzed C--H functionalization of
 1,4-naphthoquinones via oxidative coupling with sulfoximines
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/D2CC03319D
_journal_year                    2022
_chemical_formula_sum            'Cs0.31 K0.69 P Se6'
_chemical_name_systematic
;
Cesium-0.31 Potassium-0.69 Hexaselenophosphate
;
_space_group_IT_number           29
_space_group_name_Hall           'P 2c -2ac'
_space_group_name_H-M_alt        'P c a 21'
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      29
_symmetry_space_group_name_H-M   'P c a 21'
_audit_update_record
;
2018-02-28 deposited with the CCDC.	2022-08-31 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.73919
_cell_length_b                   6.86049
_cell_length_c                   11.46433
_cell_volume                     923.298
_cod_data_source_file            d2cc03319d2.cif
_cod_data_source_block           194439-ICSD
_cod_original_cell_volume        923.29
_cod_original_formula_sum        'Cs0.31 K0.69 P1 Se6'
_cod_database_code               7130622
Sustainable solid form screening: mechanochemical control over nucleobase hydrogen-bonded organic framework polymorphism
Stolar, Tomislav; Alić, Jasna; Lončarić, Ivor; Etter, Martin; Jung, Dahee; Farha, Omar K.; Đilović, Ivica; Meštrović, Ernest; Užarević, Krunoslav; CrystEngComm  (2022) –; doi:10.1039/D2CE00668E

data_7245424
_publ_section_title
;
 Sustainable solid form screening: mechanochemical control over nucleobase
 hydrogen-bonded organic framework polymorphism
;
_journal_name_full               CrystEngComm
_journal_paper_doi               10.1039/D2CE00668E
_journal_year                    2022
_chemical_formula_moiety         'C5 H6 N6'
_chemical_formula_sum            'C5 H6 N6'
_chemical_formula_weight         150.16
_chemical_melting_point          574
_chemical_name_common            2-aminoadenine
_chemical_name_systematic        2,6-diaminopurine
_space_group_IT_number           61
_space_group_name_Hall           '-P 2ac 2ab'
_space_group_name_H-M_alt        'P b c a'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   'P b c a'
_audit_update_record
;
2022-07-11 deposited with the CCDC.	2022-08-15 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   14.97434(81)
_cell_length_b                   12.37809(44)
_cell_length_c                   6.76487(19)
_cell_measurement_temperature    295
_cell_volume                     1253.89(9)
_computing_cell_refinement       Topas
_computing_structure_refinement  Topas
_computing_structure_solution    Topas
_diffrn_ambient_temperature      295
_diffrn_measurement_device_type
;
Laboratory powder diffractometer equiped with Mo K\^I+- source. 
;
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_exptl_crystal_colour            white
_exptl_crystal_density_diffrn    1.590
_pd_proc_ls_prof_R_factor        0.054
_pd_proc_ls_prof_wR_factor       0.071
_refine_ls_goodness_of_fit_all   1.97
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     50
_refine_ls_R_Fsqd_factor         0.023
_refine_ls_shift/su_max          <0.01
_cod_data_source_file            d2ce00668e2.cif
_cod_data_source_block           DAP_anhydrate
_cod_original_cell_volume        1253.894(88)
_cod_original_sg_symbol_H-M      Pbca
_cod_database_code               7245424
Wenbo Lv; To be published in MOLECULES  () –; doi:

data_3000410
_journal_name_full               'To be published in MOLECULES'
_chemical_formula_sum            'C358 H2968 N180 O1088'
_space_group_name_Hall           'P 1'
_space_group_name_H-M_alt        'P 1'
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
_cell_length_a                   34.3500
_cell_length_b                   34.3500
_cell_length_c                   34.3500
_cell_volume                     40530.338
_cod_database_code               3000410
_cod_hold_until_date             2023-02-07
Wenbo Lv; To be published in MOLECULES  () –; doi:

data_3000411
_journal_name_full               'To be published in MOLECULES'
_chemical_formula_sum            'C358 H2968 N180 O1152'
_space_group_name_Hall           'P 1'
_space_group_name_H-M_alt        'P 1'
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
_cell_length_a                   34.3500
_cell_length_b                   34.3500
_cell_length_c                   34.3500
_cell_volume                     40530.338
_cod_database_code               3000411
_cod_hold_until_date             2023-02-07
Wenbo Lv; To be published in MOLECULES  () –; doi:

data_3000412
_journal_name_full               'To be published in MOLECULES'
_chemical_formula_sum            'C358 H2840 N180 O1152'
_space_group_name_Hall           'P 1'
_space_group_name_H-M_alt        'P 1'
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
_cell_length_a                   34.3500
_cell_length_b                   34.3500
_cell_length_c                   34.3500
_cell_volume                     40530.338
_cod_database_code               3000412
_cod_hold_until_date             2023-02-07
Effects of Lanthanum doped cobalt-zinc ferrite on structural and magnetic properties (Co0.8 Zn0.2 Fe2-x Lax O4)
Taju Ahmed; Personal communication to COD  (2022) –; doi:

data_3500127
_publ_section_title
;
 Effects of Lanthanum doped cobalt-zinc ferrite on structural and magnetic
 properties (Co0.8 Zn0.2 Fe2-x Lax O4)
;
_journal_name_full               'Personal communication to COD'
_journal_year                    2022
_chemical_formula_sum            'Co0.8 Fe2 O4 Zn0.2'
_chemical_name_common            '(Zn0.2 Fe0.8) [Co0.8 Fe1.2] O4'
_chemical_name_mineral           'Cobalt Zinc Ferrite'
_chemical_name_systematic        '(Zn0.2 Fe0.8) [Co0.8 Fe1.2] O4'
_space_group_IT_number           227
_space_group_name_Hall           'F 4d 2 3 -1d'
_space_group_name_H-M_alt        'F d -3 m :1'
_symmetry_cell_setting           cubic
_symmetry_space_group_name_H-M   'F d -3 m :1'
_audit_creation_date             'Sun Sep 11 20:03:18 EAT 2022'
_audit_creation_method           'Maud, version 2.992'
_audit_update_record             'Sun Sep 11 20:07:30 EAT 2022'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   8.3877
_cell_length_b                   8.3877
_cell_length_c                   8.3877
_cell_volume                     590.104
_computing_structure_refinement  'Maud, version 2.992'
_refine_ls_d_res_high            5000
_refine_ls_d_res_low             0
_refine_ls_goodness_of_fit_all   0.14928363
_refine_ls_R_factor_all          0.0070647798
_refine_ls_wR_factor_all         0.009149176
_reflns_d_resolution_high        50
_reflns_d_resolution_low         0.7
_cod_data_source_file
Co0.8Zn0.2Fe2O4byTajuAhmedfromWallagaUniversity251913826800.cif
_cod_data_source_block           (Zn0.2Fe0.8)[Co0.8La0.1Fe1.1]O4
_cod_depositor_comments
'By Taju Ahmed from Wallaga University +251913826800'
_cod_original_sg_symbol_H-M      Fd-3m:1
_cod_original_formula_sum        'Co0.8 Zn0.2 Fe2 O4'
_cod_database_code               3500127