LMucko/crystallography-open-database huggingface dataset:
Crystal-chemistry of sulfates from Apuan Alps (Tuscany, Italy). II. Crystal structure and hydrogen bonding system of romerite, Fe2+Fe3+2(SO4)4(H2O)14
Mauro, D.; Biagioni, C.; Pasero, M.; Zaccarini, F.; Atti della Societa Toscana di Scienze Naturali, Memorie, Serie A 125 (2019) 5–11; doi:

data_9017919
_publ_section_title
;
 Crystal-chemistry of sulfates from Apuan Alps (Tuscany, Italy). II.
 Crystal structure and hydrogen bonding system of romerite, Fe2+Fe3+2(SO4)4(H2O)14
;
_journal_name_full
'Atti della Societa Toscana di Scienze Naturali, Memorie, Serie A'
_journal_page_first              5
_journal_page_last               11
_journal_volume                  125
_journal_year                    2019
_chemical_compound_source        'Apuan Alps, Tuscany, Italy'
_chemical_formula_sum            'Fe2.937 H28 Mg0.063 O30 S4'
_chemical_name_mineral           Romerite
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                90.131
_cell_angle_beta                 100.900
_cell_angle_gamma                85.966
_cell_formula_units_Z            1
_cell_length_a                   6.4512
_cell_length_b                   15.3227
_cell_length_c                   6.3253
_cell_volume                     612.414
_database_code_amcsd             0021047
_exptl_crystal_density_diffrn    2.175
_cod_data_source_file            inputs/fixed/split/20912.cif
_cod_data_source_block           20912
_cod_original_formula_sum        'Fe2.937 Mg.063 S4 O30 H28'
_cod_database_code               9017919
Crystal structure of a new ferric sulfate mineral
Wang, Q.; Li, W.; Kexue Tongbao 33 (1988) 1783–1787; doi:

data_9017920
_publ_section_title
;
 Crystal structure of a new ferric sulfate mineral
;
_journal_name_full               'Kexue Tongbao'
_journal_page_first              1783
_journal_page_last               1787
_journal_volume                  33
_journal_year                    1988
_chemical_formula_sum            'Fe2.68 H28 O30 S4'
_chemical_name_mineral           Romerite
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                90.14
_cell_angle_beta                 100.93
_cell_angle_gamma                94.12
_cell_length_a                   6.448
_cell_length_b                   15.248
_cell_length_c                   6.307
_cell_formula_units_Z            1
_cell_volume                     607.195
_database_code_amcsd             0021048
_exptl_crystal_density_diffrn    2.150
_cod_data_source_file            inputs/fixed/split/20913.cif
_cod_data_source_block           20913
_cod_original_formula_sum        'Fe2.68 S4 O30 H28'
_cod_database_code               9017920
'Giant and highly anisotropic magnetocaloric effects in single crystals of disordered-perovskite R Cr 0.5 Fe 0.5 O 3 (R= Gd, Er)'
Young Jai Choi; Personal communication to COD  (2023) –; doi:

data_3000434
_publ_section_title
;
 'Giant and highly anisotropic magnetocaloric effects in single crystals
 of disordered-perovskite R Cr 0.5 Fe 0.5 O 3 (R= Gd, Er)'
;
_journal_name_full               'Personal communication to COD'
_journal_year                    2023
_chemical_formula_sum            'Cr0.5 Fe0.5 Gd O3'
_chemical_formula_weight         259.16755
_space_group_IT_number           62
_space_group_name_Hall           '-P 2c 2ab'
_space_group_name_H-M_alt        'P b n m'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_audit_creation_method           Ultima-IV
_cell_angle_alpha                90.00000
_cell_angle_beta                 90.00000
_cell_angle_gamma                90.00000
_cell_formula_units_Z            4
_cell_length_a                   5.33180(10)
_cell_length_b                   5.56744(10)
_cell_length_c                   7.63787(13)
_cell_volume                     226.726(7)
_computing_structure_refinement  FULLPROF
_diffrn_radiation_type           X-ray
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.020000
_pd_meas_2theta_range_max        80.00000
_pd_meas_2theta_range_min        20.00000
_pd_meas_number_of_points        3001
_pd_proc_2theta_range_inc        0.020000
_pd_proc_2theta_range_max        79.9410
_pd_proc_2theta_range_min        19.9410
_pd_proc_ls_pref_orient_corr     ' ?'
_pd_proc_ls_prof_R_factor        2.1651
_pd_proc_ls_prof_wR_expected     2.4502
_pd_proc_ls_prof_wR_factor       2.9211
_pd_proc_wavelength              1.540560
_pd_spec_mounting                ' ?'
_refine_ls_number_parameters     78
_refine_ls_number_reflns         162
_refine_ls_number_restraints     0
_refine_ls_R_I_factor            2.0851
_cod_data_source_file            GdCr0.5Fe0.5O3.cif
_cod_data_source_block           GdCr0.5Fe0.5O3
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Orthorhombic' was changed
to 'orthorhombic' in accordance with the built-in table derived from
the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last
updated on 2014-11-21.

Automatic conversion script
Id: cif_fix_values 8738 2021-04-28 16:35:53Z antanas 

 Releasing structure 3000434 into public domain as personal
 communication to COD.
;
_cod_original_formula_sum        'Gd Cr0.50 Fe0.50 O3'
_cod_database_code               3000434
_pd_proc_ls_prof_cr_factor       9.7388
_pd_proc_ls_prof_cwr_factor      7.9903
_pd_proc_ls_prof_cwr_expected    6.7020
_pd_proc_ls_prof_chi2            1.4214
_pd_proc_ls_prof_echi2           1.5069
' Giant and highly anisotropic magnetocaloric effects in single crystals of disordered-perovskite RCr 0.5 Fe 0.5 O 3 (R= Gd, Er)'
Young Jai Choi; Personal communication to COD  (2023) –; doi:

data_3000435
_publ_section_title
;
 ' Giant and highly anisotropic magnetocaloric effects in single crystals
 of disordered-perovskite RCr 0.5 Fe 0.5 O 3 (R= Gd, Er)'
;
_journal_name_full               'Personal communication to COD'
_journal_year                    2023
_chemical_formula_sum            'Cr0.5 Er Fe0.5 O3'
_chemical_formula_weight         269.17655
_space_group_IT_number           62
_space_group_name_Hall           '-P 2c 2ab'
_space_group_name_H-M_alt        'P b n m'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_audit_creation_method           Ultima-IV
_cell_angle_alpha                90.00000
_cell_angle_beta                 90.00000
_cell_angle_gamma                90.00000
_cell_formula_units_Z            4
_cell_length_a                   5.2411(2)
_cell_length_b                   5.5451(2)
_cell_length_c                   7.5496(3)
_cell_volume                     219.410(14)
_computing_structure_refinement  FULLPROF
_diffrn_radiation_type           X-ray
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.020000
_pd_meas_2theta_range_max        80.00000
_pd_meas_2theta_range_min        20.00000
_pd_meas_number_of_points        3001
_pd_proc_2theta_range_inc        0.020000
_pd_proc_2theta_range_max        80.0021
_pd_proc_2theta_range_min        20.0021
_pd_proc_ls_pref_orient_corr     ' ?'
_pd_proc_ls_prof_R_factor        5.1509
_pd_proc_ls_prof_wR_expected     4.3594
_pd_proc_ls_prof_wR_factor       6.7260
_pd_proc_wavelength              1.540560
_pd_spec_mounting                ' ?'
_refine_ls_number_parameters     75
_refine_ls_number_reflns         161
_refine_ls_number_restraints     0
_refine_ls_R_I_factor            3.7150
_cod_data_source_file            ErCr0.5Fe0.5O3.cif
_cod_data_source_block           ErCr0.5Fe0.5O3
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Orthorhombic' was changed
to 'orthorhombic' in accordance with the built-in table derived from
the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last
updated on 2014-11-21.

Automatic conversion script
Id: cif_fix_values 8738 2021-04-28 16:35:53Z antanas 

 Releasing structure 3000435 into public domain as personal
 communication to COD.
;
_cod_original_cell_volume        219.410(15)
_cod_original_formula_sum        'Er Cr0.50 Fe0.50 O3'
_cod_database_code               3000435
_pd_proc_ls_prof_cr_factor       16.1024
_pd_proc_ls_prof_cwr_factor      14.6822
_pd_proc_ls_prof_cwr_expected    9.5161
_pd_proc_ls_prof_chi2            2.3805
_pd_proc_ls_prof_echi2           2.6414
New Insights into Dolomite and Dolomite-Analogue Structures from First Principles Calculations
Pimentel, Carlos; Pina, Carlos M.; Sainz-Díaz, C. Ignacio; ACS Earth and Space Chemistry 6 (2022) 2360–2367; doi:10.1021/acsearthspacechem.2c00100

data_4519447
_publ_section_title
;
 New Insights into Dolomite and Dolomite-Analogue Structures from First
 Principles Calculations
;
_journal_issue                   10
_journal_name_full               'ACS Earth and Space Chemistry'
_journal_page_first              2360
_journal_page_last               2367
_journal_paper_doi               10.1021/acsearthspacechem.2c00100
_journal_volume                  6
_journal_year                    2022
_chemical_formula_structural     'Ra Mg (C O3)2'
_chemical_formula_sum            'C2 Mg O6 Ra'
_chemical_name_systematic        'Radium Magnesium Carbonate'
_space_group_IT_number           166
_space_group_name_Hall           '-R 3 2"'
_space_group_name_H-M_alt        'R -3 m :H'
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      166
_symmetry_space_group_name_H-M   'R -3 m :H'
_audit_creation_date             2021-12-10
_audit_creation_method           'Materials Studio'
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                120.0000
_cell_formula_units_Z            3
_cell_length_a                   5.1227
_cell_length_b                   5.1227
_cell_length_c                   17.2957
_cell_volume                     393.067
_cod_data_source_file            sp2c00100_si_002.cif
_cod_data_source_block           RaMg(CO3)2
_cod_original_sg_symbol_H-M      R-3M
_cod_original_formula_sum        'C2 Ra Mg O6'
_cod_database_code               4519447
Sprayed FeWO4 thin film-based memristive device with negative differential resistance effect for non-volatile memory and synaptic learning applications
Patil, Amitkumar R.; Dongale, Tukaram D.; Namade, Lahu D.; Mohite, Santosh V.; Kim, Y.; Sutar,Santosh S.; Kamat, Rajanish K.; Rajpure, Keshav Y.; Journal of Colloid and Interface Science 642 (2023) 540–; doi:10.1016/j.jcis.2023.03.189

data_1568792
_publ_section_title
;
 Sprayed FeWO4 thin film-based memristive device with negative
 differential resistance effect for non-volatile memory and synaptic
 learning applications
;
_journal_name_full               'Journal of Colloid and Interface Science'
_journal_page_first              540
_journal_paper_doi               10.1016/j.jcis.2023.03.189
_journal_volume                  642
_journal_year                    2023
_chemical_formula_structural     FeWO4
_chemical_formula_sum            'Fe O4 W'
_chemical_formula_weight         303.6946
_chemical_name_common            '   light wolframite'
_space_group_IT_number           13
_space_group_name_Hall           '-P 2yc'
_space_group_name_H-M_alt        'P 1 2/c 1'
_cell_angle_alpha                90.000000
_cell_angle_beta                 90.085701
_cell_angle_gamma                90.000000
_cell_formula_units_Z            2
_cell_length_a                   4.933120
_cell_length_b                   5.724500
_cell_length_c                   4.953680
_cell_volume                     139.890
_exptl_crystal_density_diffrn    7.210
_cod_data_source_file            V50.cif
_cod_original_cell_volume        135.715610
_cod_original_sg_symbol_H-M      'P 2/c'
_cod_original_formula_sum        'Fe W O4'
_cod_database_code               1568792
Analysis of diffuse scattering in electron diffraction data for the crystal structure determination of Pigment Orange 13, C<sub>32</sub>H<sub>24</sub>Cl<sub>2</sub>N<sub>8</sub>O<sub>2</sub>.
Gorelik, Tatiana E.; Bekő, Sàndor L; Teteruk, Jaroslav; Heyse, Winfried; Schmidt, Martin U.; Acta crystallographica Section B, Structural science, crystal engineering and materials 79 (2023) 122–137; doi:10.1107/S2052520623000720

data_2022738
_publ_section_title
;
 Analysis of diffuse scattering in electron diffraction data for the
 crystal structure determination of Pigment Orange 13,
 C<sub>32</sub>H<sub>24</sub>Cl<sub>2</sub>N<sub>8</sub>O<sub>2</sub>.
;
_journal_coeditor_code           JE5050SUP1
_journal_issue                   'Pt 2'
_journal_name_full
'Acta crystallographica Section B, Structural science, crystal engineering and materials'
_journal_page_first              122
_journal_page_last               137
_journal_paper_doi               10.1107/S2052520623000720
_journal_volume                  79
_journal_year                    2023
_chemical_formula_sum            'C32 H24 Cl2 N8 O2'
_chemical_name_common            'Pigment Orange 13, alpha phase'
_chemical_name_systematic
(4Z,4'Z)-4,4'-((3,3'-dichloro-[1,1'-biphenyl]-4,4'-diyl)bis(hydrazin-2-yl-1-ylidene))bis(5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one)
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.
_cell_angle_beta                 58.0757(9000)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   16.5847(3000)
_cell_length_b                   12.3(1)
_cell_length_c                   16.5847(3000)
_cell_measurement_temperature    293(2)
_cell_volume                     2871(8)
_diffrn_ambient_temperature      293(2)
_diffrn_measurement_device_type  4k
_diffrn_radiation_probe          electron
_diffrn_radiation_wavelength     0.0197
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.44227
_exptl_crystal_description       irregular
_exptl_crystal_size_max          0.0002
_exptl_crystal_size_mid          0.0002
_exptl_crystal_size_min          0.0001
_cod_data_source_file            je5050sup1.cif
_cod_data_source_block           I
_cod_depositor_comments          'Adding full bibliography for 2022738.cif.'
_cod_original_sg_symbol_H-M      'P 2_1/c'
_cod_database_code               2022738
Magnetic clusters and ferromagnetic spin glass in the novel hexagonal perovskite 12R-Ba4SbMn3O12
Yan, Xiaohui; Wu, Junkun; Lei, Xiuyun; He, Lunhua; Guo, Wenbin; Kuang, Xiaojun; Yin, Congling; RSC Advances 13 (2023) 11234–11240; doi:10.1039/D3RA00607G

data_7246595
_publ_section_title
;
 Magnetic clusters and ferromagnetic spin glass in the novel hexagonal
 perovskite 12R-Ba4SbMn3O12
;
_journal_issue                   17
_journal_name_full               'RSC Advances'
_journal_page_first              11234
_journal_page_last               11240
_journal_paper_doi               10.1039/D3RA00607G
_journal_volume                  13
_journal_year                    2023
_chemical_formula_sum            'Ba4 Mn3 O12 Sb'
_chemical_formula_weight         1027.87
_chemical_name_mineral           'ordered hexagonal perovskite'
_space_group_IT_number           166
_space_group_name_Hall           '-R 3 2"'
_space_group_name_H-M_alt        'R -3 m :H'
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_number      166
_symmetry_space_group_name_H-M   'R -3 m :H'
_audit_update_record
;
2022-10-14 deposited with the CCDC.	2023-03-27 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   5.72733(3)
_cell_length_b                   5.72733(3)
_cell_length_c                   28.1770(3)
_cell_measurement_reflns_used    488
_cell_measurement_temperature    298
_cell_measurement_theta_max      60
_cell_measurement_theta_min      2.5
_cell_volume                     800.442(10)
_diffrn_ambient_temperature      298
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measurement_device_type  'PANalytical XPERT-PRO'
_diffrn_radiation_wavelength     1.5418
_diffrn_reflns_av_R_equivalents  0.1
_diffrn_reflns_number            3904
_exptl_crystal_description       dark
_cod_data_source_file            d3ra00607g2.cif
_cod_data_source_block           Ba4SbMn3O12
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Hexagonal' was changed to
'hexagonal' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 
;
_cod_original_cell_volume        800.441(11)
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_original_formula_sum        Ba4SbMn3O12
_cod_database_code               7246595
Santra, M; To be published in Frontiers in Chemistry  () –; doi:

data_3000437
_journal_name_full               'To be published in Frontiers in Chemistry'
_chemical_formula_sum            'C34 H30 N2'
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 94.982(2)
_cell_angle_gamma                90
_cell_length_a                   10.9065(2)
_cell_length_b                   12.5619(3)
_cell_length_c                   18.7290(4)
_cell_measurement_temperature    120.01(10)
_cell_volume                     2556.30(9)
_diffrn_ambient_temperature      120.01(10)
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_refine_ls_goodness_of_fit_ref   1.074
_refine_ls_R_factor_all          0.0725
_refine_ls_R_factor_gt           0.0578
_refine_ls_wR_factor_gt          0.1290
_refine_ls_wR_factor_ref         0.1374
_cod_database_code               3000437
_cod_hold_until_date             2023-09-17
Crystal growth and negative thermal expansion properties of a Y2Mo4O15 single crystal
Rong, Wanling; Liu, Fuan; Wang, Xiangmei; Sun, Youxuan; Gao, Zeliang; Tao, Xutang; RSC Advances 13 (2023) 13006–13013; doi:10.1039/D3RA01320K

data_7246675
_publ_section_title
;
 Crystal growth and negative thermal expansion properties of a Y2Mo4O15
 single crystal
;
_journal_issue                   19
_journal_name_full               'RSC Advances'
_journal_page_first              13006
_journal_page_last               13013
_journal_paper_doi               10.1039/D3RA01320K
_journal_volume                  13
_journal_year                    2023
_chemical_formula_sum            'Mo4 O15 Y2'
_chemical_formula_weight         801.580
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_audit_creation_date             2021-11-09
_audit_creation_method
'Olex2 1.2 (compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)''
_audit_update_record             2021-11-09
_cell_angle_alpha                90.000
_cell_angle_beta                 105.512(7)
_cell_angle_gamma                90.000
_cell_formula_units_Z            2
_cell_length_a                   6.8110(4)
_cell_length_b                   9.5833(6)
_cell_length_c                   10.5124(7)
_cell_volume                     661.17(8)
_refine_ls_R_factor_all          0.056
_cod_data_source_file            d3ra01320k1.cif
_cod_data_source_block           200721a
_cod_original_cell_volume        661.2(1)
_cod_original_sg_symbol_Hall     -P_2ybc
_cod_database_code               7246675
Crystal growth and negative thermal expansion properties of a Y2Mo4O15 single crystal
Rong, Wanling; Liu, Fuan; Wang, Xiangmei; Sun, Youxuan; Gao, Zeliang; Tao, Xutang; RSC Advances 13 (2023) 13006–13013; doi:10.1039/D3RA01320K

data_7246677
_publ_section_title
;
 Crystal growth and negative thermal expansion properties of a Y2Mo4O15
 single crystal
;
_journal_issue                   19
_journal_name_full               'RSC Advances'
_journal_page_first              13006
_journal_page_last               13013
_journal_paper_doi               10.1039/D3RA01320K
_journal_volume                  13
_journal_year                    2023
_chemical_formula_sum            'Mo4 O15 Y2'
_chemical_formula_weight         801.580
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_audit_creation_date             2021-11-22
_audit_creation_method
'Olex2 1.2 (compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)''
_audit_update_record             2021-11-22
_cell_angle_alpha                90.000
_cell_angle_beta                 105.512(8)
_cell_angle_gamma                90.000
_cell_formula_units_Z            2
_cell_length_a                   6.8176(5)
_cell_length_b                   9.5857(6)
_cell_length_c                   10.5127(8)
_cell_volume                     662.00(9)
_refine_ls_R_factor_all          0.054
_cod_data_source_file            d3ra01320k2.cif
_cod_data_source_block           200721b
_cod_original_cell_volume        662.0(1)
_cod_original_sg_symbol_Hall     -P_2ybc
_cod_database_code               7246677
Deformation of the triangular spin-1/2 lattice in Na2SrCo(PO4)2
Bader, Vera P.; Langmann, Jan; Gegenwart, Philipp; Tsirlin, Alexander A.; Physical Review B 106 (2022) 054415-1–; doi:10.1103/PhysRevB.106.054415

data_1568977
_publ_section_title
;
 Deformation of the triangular spin-1/2 lattice in Na2SrCo(PO4)2
;
_journal_issue                   5
_journal_name_full               'Physical Review B'
_journal_page_first              054415-1
_journal_paper_doi               10.1103/PhysRevB.106.054415
_journal_volume                  106
_journal_year                    2022
_chemical_absolute_configuration .
_chemical_formula_sum            'Co Na O P Sr'
_chemical_formula_weight         216.5
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yab'
_space_group_name_H-M_alt        'P 1 21/a 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.06610(10)
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   9.201520(18)
_cell_length_b                   5.265935(10)
_cell_length_c                   13.54116(2)
_cell_measurement_temperature    300
_cell_volume                     656.131(2)
_diffrn_ambient_temperature      300
_diffrn_radiation_probe          x-ray
_diffrn_radiation_wavelength     0.35424
_exptl_absorpt_coefficient_mu    0.408
_exptl_crystal_density_diffrn    0.548
_exptl_crystal_F_000             724
_pd_instr_location               ' ?'
_journal_article_reference       https://doi.org/10.1103/PhysRevB.106.054415
_cod_data_source_file            Na2SrCoP2O8_300K.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_diffrn_radiation_probe' value 'X-ray' was changed to
'x-ray' in accordance with the built-in table derived from the CIF
Core dictionary named 'cif_core.dic' version 2.4.5 last updated on
2014-11-21.

Automatic conversion script
Id: cif_fix_values 8738 2021-04-28 16:35:53Z antanas 

 1
;
_cod_original_formula_sum        'Co1 Na1 O1 P1 Sr1'
_cod_database_code               1568977