LMucko/crystallography-open-database huggingface dataset:
Bis(mu3-barbiturato-O,O,O')-(mu2-aqua)-aqua-barium(II): Crystal structure, spectroscopic and thermal properties
L.A. Solovyov; N.N. Golovnev; M.S. Molokeev; M.K. Lesnikov; Journal of Coordination Chemistry 70 (2017) 1984–1993; doi:10.1080/00958972.2017.1319943

data_1546343
_publ_contact_author_address
;
Kirensky Institute of Physics of SB RAS 
Akademgorodok 50-38
660036 Krasnoyarsk
Russia 
;
_publ_contact_author_email       msmolokeev@gmail.com
_publ_contact_author_fax         +(3912)43-89-23
_publ_contact_author_name        'Molokeev Maxim'
_publ_contact_author_phone       +7-950-437-17-72
_publ_section_title
;
 Bis(mu3-barbiturato-O,O,O')-(mu2-aqua)-aqua-barium(II): Crystal
 structure, spectroscopic and thermal properties
;
_journal_issue                   12
_journal_name_full               'Journal of Coordination Chemistry'
_journal_page_first              1984
_journal_page_last               1993
_journal_paper_doi               10.1080/00958972.2017.1319943
_journal_volume                  70
_journal_year                    2017
_chemical_formula_sum            'C8 H10 Ba N4 O8'
_chemical_formula_weight         427.53
_chemical_name_systematic
;
Catena-bis(mu3-Barbiturato-O,O,O')-(mu2-aqua)-aqua-barium(II)
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_type_scat_source
;
X-Ray Form Factor, C Attenuation and Scattering Tables (version 2.1).
NIST, Gaithersburg, MD.
;
_cell_angle_alpha                65.533(5)
_cell_angle_beta                 74.971(4)
_cell_angle_gamma                83.420(5)
_cell_formula_units_Z            2
_cell_length_a                   7.5017(3)
_cell_length_b                   9.5304(12)
_cell_length_c                   9.8090(6)
_cell_measurement_reflns_used    1277
_cell_measurement_temperature    295
_cell_measurement_theta_max      50
_cell_measurement_theta_min      4.5
_cell_volume                     616.46(9)
_computing_structure_refinement
;
Powder diffraction, Derivative Difference Method (DDM)
L.A. Solovyov, J. Appl. Cryst. 37 (2004) 743
;
_diffrn_ambient_temperature      295
_diffrn_measurement_device_type  'PANalytical X'Pert PRO'
_diffrn_radiation_probe          x-ray
_exptl_crystal_density_diffrn    2.303
_pd_block_diffractogram_id       Ba(HBar)2(H2O)2
_pd_char_colour                  white
_pd_meas_2theta_range_inc        0.013
_pd_meas_2theta_range_max        100
_pd_meas_2theta_range_min        9
_pd_proc_ls_prof_wR_expected     0.02593
_pd_proc_ls_prof_wR_factor       0.02954
_refine_ls_goodness_of_fit_all   1.13913
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     80
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.01400
_refine_ls_R_I_factor            0.02224
_refine_ls_shift/su_max          0.02784
_cod_data_source_file            BaHBar2H2O2.cif
_cod_data_source_block           b
_cod_original_sg_symbol_Hall     '-P 1                '
_cod_original_sg_symbol_H-M      'P -1                '
_cod_original_formula_sum        'C8 H10 Ba N4 O8 '
_cod_database_code               1546343
The structure of as-synthesized AlPO4-16 determined by a new framework modeling method and Rietveld refonement of synchrotron powder diffraction data
Bennett, J. Michael; Kirchner, Richard M.; Zeolites 11 (1991) 502–506; doi:10.1016/S0144-2449(05)80125-3

data_1546344
_publ_section_title
;
 The structure of as-synthesized AlPO4-16 determined by a new framework
 modeling method and Rietveld refonement of synchrotron powder diffraction
 data
;
_journal_name_full               Zeolites
_journal_page_first              502
_journal_page_last               506
_journal_paper_doi               10.1016/S0144-2449(05)80125-3
_journal_volume                  11
_journal_year                    1991
_chemical_formula_sum            'C28 H45 Al20 N O96 P20'
_chemical_formula_weight         3090.71
_space_group_IT_number           196
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      196
_symmetry_space_group_name_Hall  'F 2 2 3'
_symmetry_space_group_name_H-M   'F 2 3'
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            1
_cell_length_a                   13.3832(6)
_cell_length_b                   13.3832(6)
_cell_length_c                   13.3832(6)
_cell_volume                     2397.07(19)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         synchrotron
_diffrn_radiation_wavelength     1.32365
_exptl_absorpt_coefficient_mu    3.921
_exptl_crystal_density_diffrn    1.996
_exptl_crystal_density_method    'Not Measured'
_exptl_crystal_F_000             1447
_pd_proc_ls_prof_wR_expected     0.156
_pd_proc_ls_prof_wR_factor       0.192
_refine_ls_number_parameters     21
_refine_ls_number_reflns         89
_refine_ls_R_Fsqd_factor         0.106
_cod_data_source_file            Zeolites-1991-11-502-506.cif
_cod_data_source_block           AlPO4-16
_cod_depositor_comments
;
[Al20P20O80] 4Q 16H2O, 
Q = quinuclidine [N(CH2CH2)3CH]
Q introduced in the refinement as rigid-body disorder model

 modif of formula and formula weight
;
_cod_original_cell_volume        2397.1(3)
_cod_original_formula_sum        'H45 C7 Al20 N O96 P20'
_cod_database_code               1546344
The synthesis and structure of SSZ-24, the silica analog of AlPO4-5
Bialek, R.; Meier, W. M.; Davis, M.; Annen, M. J.; Zeolites 11 (1991) 438–442; doi:10.1016/S0144-2449(05)80114-9

data_1546345
_publ_section_title
;
 The synthesis and structure of SSZ-24, the silica analog of AlPO4-5
;
_journal_name_full               Zeolites
_journal_page_first              438
_journal_page_last               442
_journal_paper_doi               10.1016/S0144-2449(05)80114-9
_journal_volume                  11
_journal_year                    1991
_chemical_formula_sum            'O2 Si'
_chemical_formula_weight         60.0843
_space_group_IT_number           192
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_number      192
_symmetry_space_group_name_Hall  '-P 6 2c'
_symmetry_space_group_name_H-M   'P 6/m c c'
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                120.
_cell_formula_units_Z            12
_cell_length_a                   13.671
_cell_length_b                   13.671
_cell_length_c                   8.328
_cell_volume                     1347.944
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_pd_proc_ls_prof_wR_expected     0.036
_pd_proc_ls_prof_wR_factor       0.158
_refine_ls_number_parameters     26
_refine_ls_number_reflns         199
_refine_ls_R_Fsqd_factor         0.093
_cod_data_source_file            Zeolites-1991-11-438-442-1.cif
_cod_data_source_block           SSZ-24-calcined
_cod_depositor_comments
;
One N,N,N-trimethyl-1-adamantammonium cation per unit cell
in the as-synthesized form in split position with occupancy
factor 1/8
;
_cod_database_code               1546345
Flexibility of the zeolite RHO framework : effect of dehydration on the crystal structure of the beryllophosphate mineral, pahasapaite
Corbin, David R.; Abrams, Lloyd; Jones, Glover A.; Harlow, Richard L.; Dunn, Pete J.; Zeolites 11 (1991) 364–367; doi:10.1016/0144-2449(91)80302-G

data_1546352
_publ_section_title
;
 Flexibility of the zeolite RHO framework : effect of dehydration on the
 crystal structure of the beryllophosphate mineral, pahasapaite
;
_journal_name_full               Zeolites
_journal_page_first              364
_journal_page_last               367
_journal_paper_doi               10.1016/0144-2449(91)80302-G
_journal_volume                  11
_journal_year                    1991
_chemical_formula_sum            'Be24 Ca5.5 Li8 O96 P24'
_chemical_formula_weight         2771.56
_space_group_IT_number           197
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      197
_symmetry_space_group_name_Hall  'I 2 2 3'
_symmetry_space_group_name_H-M   'I 2 3'
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            1
_cell_length_a                   13.100(3)
_cell_length_b                   13.100(3)
_cell_length_c                   13.100(3)
_cell_volume                     2248.1(9)
_diffrn_ambient_temperature      296
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.880
_exptl_crystal_density_diffrn    2.092
_exptl_crystal_density_method    'Not Measured'
_exptl_crystal_F_000             1383
_refine_ls_number_reflns         555
_refine_ls_R_factor_gt           0.042
_refine_ls_wR_factor_gt          0.037
_cod_data_source_file            Zeolites-1991-11-364-367.cif
_cod_data_source_block           Pahasapaite-dehydrated
_cod_original_cell_volume        2248.1(15)
_cod_database_code               1546352
Creating Binary Cu‒Bi Compounds via High-Pressure Synthesis: A Combined Experimental and Theoretical Study
Clarke, Samantha M.; Amsler, Maximilian; Walsh, James P. S.; Yu, Tony; Wang, Yanbin; Meng, Yue; Jacobsen, Steven D.; Wolverton, Chris; Freedman, Danna E.; Chemistry of Materials 29 (2017) 5276–; doi:10.1021/acs.chemmater.7b01418

data_4002817
_publ_section_title
;
 Creating Binary Cu--Bi Compounds via High-Pressure Synthesis: A Combined
 Experimental and Theoretical Study
;
_journal_issue                   12
_journal_name_full               'Chemistry of Materials'
_journal_page_first              5276
_journal_paper_doi               10.1021/acs.chemmater.7b01418
_journal_volume                  29
_journal_year                    2017
_chemical_formula_moiety         'Bi Cu'
_chemical_formula_sum            'Bi Cu'
_chemical_formula_weight         272.53
_chemical_name_mineral           CuBi
_space_group_crystal_system      orthorhombic
_space_group_IT_number           51
_space_group_name_Hall           '-P 2a 2a'
_symmetry_Int_Tables_number      51
_symmetry_space_group_name_Hall  '-P 2a 2a'
_symmetry_space_group_name_H-M   'P m m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.188995(16)
_cell_length_b                   4.230802(12)
_cell_length_c                   7.86657(2)
_cell_measurement_temperature    100
_cell_volume                     172.6996(8)
_computing_cell_refinement       'Topas 5'
_computing_structure_refinement  'Topas 5'
_diffrn_ambient_temperature      100
_diffrn_measurement_device_type  'APS Beamline 11-BM'
_diffrn_radiation_wavelength     0.414204
_diffrn_source                   synchrotron
_pd_proc_ls_profile_function     pseudo-Voigt
_pd_proc_ls_prof_R_factor        4.42
_pd_proc_ls_prof_wR_expected     5.16
_pd_proc_ls_prof_wR_factor       5.96
_refine_ls_goodness_of_fit_all   1.15
_refine_ls_R_factor_all          1.107
_cod_data_source_file            cm7b01418_si_002.cif
_cod_data_source_block           CuBi
_cod_depositor_comments          'Adding full bibliography for 4002817.cif.'
_cod_original_cell_volume        172.6996(9)
_cod_original_sg_symbol_H-M      Pmma
_cod_database_code               4002817
MCM-22: a molecular sieve with two independent multidimensional channel systems
Leonowicz, Michael E.; Lawton, Jeffrey A.; Lawton, Stephen L.; Rubin, Mae K.; Science 264 (1994) 1910–1913; doi:10.1126/science.264.5167.1910

data_1546360
_publ_section_title
;
 MCM-22: a molecular sieve with two independent multidimensional channel
 systems
;
_journal_name_full               Science
_journal_page_first              1910
_journal_page_last               1913
_journal_paper_doi               10.1126/science.264.5167.1910
_journal_volume                  264
_journal_year                    1994
_chemical_formula_sum            'Al0.005 B0.071 H0.033 Na0.043 O2 Si0.924'
_chemical_formula_weight         59.8741
_space_group_IT_number           191
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_number      191
_symmetry_space_group_name_Hall  '-P 6 2'
_symmetry_space_group_name_H-M   'P 6/m m m'
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                120.
_cell_formula_units_Z            72
_cell_length_a                   14.1145(8)
_cell_length_b                   14.1145(8)
_cell_length_c                   24.8822(18)
_cell_volume                     4292.9(5)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         synchrotron
_diffrn_radiation_wavelength     1.5371
_pd_proc_ls_prof_R_factor        0.16
_pd_proc_ls_prof_wR_factor       0.19
_refine_ls_number_parameters     46
_refine_ls_number_reflns         517
_refine_ls_R_Fsqd_factor         0.13
_cod_data_source_file            Science-1994-264-1910-1913.cif
_cod_data_source_block           MCM-22
_cod_depositor_comments
;
Si corresponds to Al0.005  B0.071  Si0.924
S are non-framework atoms defined as neutral oxygen
;
_cod_original_cell_volume        4292.9(7)
_cod_original_formula_sum        'H0.033 Al0.005 B0.071 Na0.043 O2 Si0.924'
_cod_database_code               1546360
Structural and electronic transformations in quadruple iron perovskite Ca1-xSrxCu3Fe4O12
Yamada, I.; Shiro, K.; Hayashi, N.; Kawaguchi, S.; Kawakami, T.; Takahashi, R.; Irifune, T.; Journal of Asian Ceramic Societies 175 (2017) 5–169; doi:

data_1546365
_publ_section_title
;
 Structural and electronic transformations in quadruple iron perovskite
 Ca1-xSrxCu3Fe4O12
;
_journal_name_full               'Journal of Asian Ceramic Societies'
_journal_page_first              5
_journal_page_last               169
_journal_volume                  175
_journal_year                    2017
_chemical_formula_sum            'Ca0.8 Cu3 Fe4 O12 Sr0.2'
_chemical_name_common            'Ca0.8Sr0.2Cu3Fe4O12 at 300 K'
_space_group_IT_number           204
_space_group_name_H-M_alt        'I m -3'
_symmetry_space_group_name_Hall  '-I 2 2 3'
_symmetry_space_group_name_H-M   'I m -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.30355(9)
_cell_length_b                   7.30355(9)
_cell_length_c                   7.30355(9)
_cell_volume                     389.585(8)
_diffrn_ambient_temperature      300
_cod_data_source_file            Ca0.8Sr0.2Cu3Fe4O12-300K.cif
_cod_data_source_block           Ca0.8Sr0.2Cu3Fe4O12-300K
_cod_original_formula_sum        'Ca0.8 Sr0.2 Cu3 Fe4 O12'
_cod_database_code               1546365
Structural and electronic transformations in quadruple iron perovskite Ca1-xSrxCu3Fe4O12
Yamada, I.; Shiro, K.; Hayashi, N.; Kawaguchi, S.; Kawakami, T.; Takahashi, R.; Irifune, T.; Journal of Asian Ceramic Societies 175 (2017) 5–169; doi:

data_1546366
_publ_section_title
;
 Structural and electronic transformations in quadruple iron perovskite
 Ca1-xSrxCu3Fe4O12
;
_journal_name_full               'Journal of Asian Ceramic Societies'
_journal_page_first              5
_journal_page_last               169
_journal_volume                  175
_journal_year                    2017
_chemical_formula_sum            'Ca0.8 Cu3 Fe4 O12 Sr0.2'
_chemical_name_common            'Ca0.8Sr0.2Cu3Fe4O12 at 20 K'
_space_group_IT_number           201
_space_group_name_H-M_alt        'P n -3'
_symmetry_space_group_name_Hall  '-P 2ab 2bc 3'
_symmetry_space_group_name_H-M   'P n -3 :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.27630(6)
_cell_length_b                   7.27630(6)
_cell_length_c                   7.27630(6)
_cell_volume                     385.240(6)
_diffrn_ambient_temperature      20
_cod_data_source_file            Ca0.8Sr0.2Cu3Fe4O12-20K.cif
_cod_data_source_block           Ca0.8Sr0.2Cu3Fe4O12-20K
_cod_original_formula_sum        'Ca0.8 Sr0.2 Cu3 Fe4 O12'
_cod_database_code               1546366
Structural and electronic transformations in quadruple iron perovskite Ca1-xSrxCu3Fe4O12
Yamada, I.; Shiro, K.; Hayashi, N.; Kawaguchi, S.; Kawakami, T.; Takahashi, R.; Irifune, T.; Journal of Asian Ceramic Societies 175 (2017) 5–169; doi:

data_1546367
_publ_section_title
;
 Structural and electronic transformations in quadruple iron perovskite
 Ca1-xSrxCu3Fe4O12
;
_journal_name_full               'Journal of Asian Ceramic Societies'
_journal_page_first              5
_journal_page_last               169
_journal_volume                  175
_journal_year                    2017
_chemical_formula_sum            'Ca0.6 Cu3 Fe4 O12 Sr0.4'
_chemical_name_common            'Ca0.6Sr0.4Cu3Fe4O12 at 300 K'
_space_group_IT_number           204
_space_group_name_H-M_alt        'I m -3'
_symmetry_space_group_name_Hall  '-I 2 2 3'
_symmetry_space_group_name_H-M   'I m -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.31708(17)
_cell_length_b                   7.31708(17)
_cell_length_c                   7.31708(17)
_cell_volume                     391.754(16)
_diffrn_ambient_temperature      300
_cod_data_source_file            Ca0.6Sr0.4Cu3Fe4O12-300K.cif
_cod_data_source_block           Ca0.6Sr0.4Cu3Fe4O12-300K
_cod_original_formula_sum        'Ca0.6 Sr0.4 Cu3 Fe4 O12'
_cod_database_code               1546367
Structural and electronic transformations in quadruple iron perovskite Ca1-xSrxCu3Fe4O12
Yamada, I.; Shiro, K.; Hayashi, N.; Kawaguchi, S.; Kawakami, T.; Takahashi, R.; Irifune, T.; Journal of Asian Ceramic Societies 175 (2017) 5–169; doi:

data_1546368
_publ_section_title
;
 Structural and electronic transformations in quadruple iron perovskite
 Ca1-xSrxCu3Fe4O12
;
_journal_name_full               'Journal of Asian Ceramic Societies'
_journal_page_first              5
_journal_page_last               169
_journal_volume                  175
_journal_year                    2017
_chemical_formula_sum            'Ca0.6 Cu3 Fe4 O12 Sr0.4'
_chemical_name_common            'Ca0.6Sr0.4Cu3Fe4O12 at 20 K'
_space_group_IT_number           204
_space_group_name_H-M_alt        'I m -3'
_symmetry_space_group_name_Hall  '-I 2 2 3'
_symmetry_space_group_name_H-M   'I m -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.2942(7)
_cell_length_b                   7.2942(7)
_cell_length_c                   7.2942(7)
_cell_volume                     388.09(6)
_diffrn_ambient_temperature      20
_cod_data_source_file            Ca0.6Sr0.4Cu3Fe4O12-20K.cif
_cod_data_source_block           Ca0.6Sr0.4Cu3Fe4O12-20K
_cod_original_formula_sum        'Ca0.6 Sr0.4 Cu3 Fe4 O12'
_cod_database_code               1546368
Structural and electronic transformations in quadruple iron perovskite Ca1-xSrxCu3Fe4O12
Yamada, I.; Shiro, K.; Hayashi, N.; Kawaguchi, S.; Kawakami, T.; Takahashi, R.; Irifune, T.; Journal of Asian Ceramic Societies 175 (2017) 5–169; doi:

data_1546369
_publ_section_title
;
 Structural and electronic transformations in quadruple iron perovskite
 Ca1-xSrxCu3Fe4O12
;
_journal_name_full               'Journal of Asian Ceramic Societies'
_journal_page_first              5
_journal_page_last               169
_journal_volume                  175
_journal_year                    2017
_chemical_formula_sum            'Ca0.4 Cu3 Fe4 O12 Sr0.6'
_chemical_name_common            'Ca0.4Sr0.6Cu3Fe4O12 at 300 K'
_space_group_IT_number           204
_space_group_name_H-M_alt        'I m -3'
_symmetry_space_group_name_Hall  '-I 2 2 3'
_symmetry_space_group_name_H-M   'I m -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.33013(14)
_cell_length_b                   7.33013(14)
_cell_length_c                   7.33013(14)
_cell_volume                     393.854(13)
_diffrn_ambient_temperature      300
_cod_data_source_file            Ca0.4Sr0.6Cu3Fe4O12-300K.cif
_cod_data_source_block           Ca0.4Sr0.6Cu3Fe4O12-300K
_cod_original_formula_sum        'Ca0.4 Sr0.6 Cu3 Fe4 O12'
_cod_database_code               1546369
Structural and electronic transformations in quadruple iron perovskite Ca1-xSrxCu3Fe4O12
Yamada, I.; Shiro, K.; Hayashi, N.; Kawaguchi, S.; Kawakami, T.; Takahashi, R.; Irifune, T.; Journal of Asian Ceramic Societies 175 (2017) 5–169; doi:

data_1546370
_publ_section_title
;
 Structural and electronic transformations in quadruple iron perovskite
 Ca1-xSrxCu3Fe4O12
;
_journal_name_full               'Journal of Asian Ceramic Societies'
_journal_page_first              5
_journal_page_last               169
_journal_volume                  175
_journal_year                    2017
_chemical_formula_sum            'Ca0.4 Cu3 Fe4 O12 Sr0.6'
_chemical_name_common            'Ca0.4Sr0.6Cu3Fe4O12 at 20 K'
_space_group_IT_number           204
_space_group_name_H-M_alt        'I m -3'
_symmetry_space_group_name_Hall  '-I 2 2 3'
_symmetry_space_group_name_H-M   'I m -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.33640(15)
_cell_length_b                   7.33640(15)
_cell_length_c                   7.33640(15)
_cell_volume                     394.865(14)
_diffrn_ambient_temperature      20
_cod_data_source_file            Ca0.4Sr0.6Cu3Fe4O12-20K.cif
_cod_data_source_block           Ca0.4Sr0.6Cu3Fe4O12-20K
_cod_original_formula_sum        'Ca0.4 Sr0.6 Cu3 Fe4 O12'
_cod_database_code               1546370
Structural and electronic transformations in quadruple iron perovskite Ca1-xSrxCu3Fe4O12
Yamada, I.; Shiro, K.; Hayashi, N.; Kawaguchi, S.; Kawakami, T.; Takahashi, R.; Irifune, T.; Journal of Asian Ceramic Societies 175 (2017) 5–169; doi:

data_1546371
_publ_section_title
;
 Structural and electronic transformations in quadruple iron perovskite
 Ca1-xSrxCu3Fe4O12
;
_journal_name_full               'Journal of Asian Ceramic Societies'
_journal_page_first              5
_journal_page_last               169
_journal_volume                  175
_journal_year                    2017
_chemical_formula_sum            'Ca0.2 Cu3 Fe4 O12 Sr0.8'
_chemical_name_common            'Ca0.2Sr0.8Cu3Fe4O12 at 300 K'
_space_group_IT_number           204
_space_group_name_H-M_alt        'I m -3'
_symmetry_space_group_name_Hall  '-I 2 2 3'
_symmetry_space_group_name_H-M   'I m -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.34542(15)
_cell_length_b                   7.34542(15)
_cell_length_c                   7.34542(15)
_cell_volume                     396.324(14)
_diffrn_ambient_temperature      300
_cod_data_source_file            Ca0.2Sr0.8Cu3Fe4O12-300K.cif
_cod_data_source_block           Ca0.2Sr0.8Cu3Fe4O12-300K
_cod_original_formula_sum        'Ca0.2 Sr0.8 Cu3 Fe4 O12'
_cod_database_code               1546371