LMucko/crystallography-open-database huggingface dataset:
Crystal structure refinement of Nd~2-x~Ce~x~CuO~4~ (x=.05-.30) by x-ray (295K) and neutron (1.5K) powder diffraction
Paulus, E F; Yehia, I; Fuess, H; Rodriguez, J; Vogt, T; Stroebel, J; Klauda, M; Saemann-Ischenko, G; Solid State Communications 73 (1990) 791–795; doi:10.1016/0038-1098(90)90172-8

data_1006020
_publ_section_title
;
Crystal structure refinement of Nd~2-x~Ce~x~CuO~4~ (x=.05-.30) by x-ray
(295K) and neutron (1.5K) powder diffraction
;
_journal_coden_ASTM              SSCOA4
_journal_issue                   11
_journal_name_full               'Solid State Communications'
_journal_page_first              791
_journal_page_last               795
_journal_paper_doi               10.1016/0038-1098(90)90172-8
_journal_volume                  73
_journal_year                    1990
_chemical_formula_structural     'Nd1.80 Ce.20 Cu O4'
_chemical_formula_sum            'Ce0.2 Cu Nd1.8 O4'
_chemical_name_systematic
;
Neodymium cerium copper oxide (1.80/.20/1/4)
;
_space_group_IT_number           139
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      139
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.9481(2)
_cell_length_b                   3.9481(2)
_cell_length_c                   12.0524(9)
_cell_volume                     187.9
_refine_ls_R_factor_all          0.027
_cod_original_formula_sum        'Ce.2 Cu Nd1.8 O4'
_cod_database_code               1006020
Crystal structure refinement of Nd~2-x~Ce~x~CuO~4~ (x=.05-.30) by x-ray (295K) and neutron (1.5K) powder diffraction
Paulus, E F; Yehia, I; Fuess, H; Rodriguez, J; Vogt, T; Stroebel, J; Klauda, M; Saemann-Ischenko, G; Solid State Communications 73 (1990) 791–795; doi:10.1016/0038-1098(90)90172-8

data_1006021
_publ_section_title
;
Crystal structure refinement of Nd~2-x~Ce~x~CuO~4~ (x=.05-.30) by x-ray
(295K) and neutron (1.5K) powder diffraction
;
_journal_coden_ASTM              SSCOA4
_journal_issue                   11
_journal_name_full               'Solid State Communications'
_journal_page_first              791
_journal_page_last               795
_journal_paper_doi               10.1016/0038-1098(90)90172-8
_journal_volume                  73
_journal_year                    1990
_chemical_formula_structural     'Nd1.70 Ce.30 Cu O4'
_chemical_formula_sum            'Ce0.3 Cu Nd1.7 O4'
_chemical_name_systematic
;
Neodymium cerium copper oxide (1.70/.30/1/4)
;
_space_group_IT_number           139
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      139
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.94288(3)
_cell_length_b                   3.94288(3)
_cell_length_c                   12.0288(2)
_cell_volume                     187.0
_refine_ls_R_factor_all          0.0551
_cod_original_formula_sum        'Ce.3 Cu Nd1.7 O4'
_cod_database_code               1006021
Crystal structure refinement of Nd~2-x~Ce~x~CuO~4~ (x=.05-.30) by x-ray (295K) and neutron (1.5K) powder diffraction
Paulus, E F; Yehia, I; Fuess, H; Rodriguez, J; Vogt, T; Stroebel, J; Klauda, M; Saemann-Ischenko, G; Solid State Communications 73 (1990) 791–795; doi:10.1016/0038-1098(90)90172-8

data_1006022
_publ_section_title
;
Crystal structure refinement of Nd~2-x~Ce~x~CuO~4~ (x=.05-.30) by x-ray
(295K) and neutron (1.5K) powder diffraction
;
_journal_coden_ASTM              SSCOA4
_journal_issue                   11
_journal_name_full               'Solid State Communications'
_journal_page_first              791
_journal_page_last               795
_journal_paper_doi               10.1016/0038-1098(90)90172-8
_journal_volume                  73
_journal_year                    1990
_chemical_formula_structural     'Nd1.70 Ce.30 Cu O4'
_chemical_formula_sum            'Ce0.3 Cu Nd1.7 O4'
_chemical_name_systematic
;
Neodymium cerium copper oxide (1.70/.30/1/4)
;
_space_group_IT_number           139
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      139
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.94616(8)
_cell_length_b                   3.94616(8)
_cell_length_c                   12.0441(4)
_cell_volume                     187.6
_refine_ls_R_factor_all          0.0267
_cod_original_formula_sum        'Ce.3 Cu Nd1.7 O4'
_cod_database_code               1006022
Perovskite Threefold Superlattices: A Structure Determination of the A~3~ M~3~ O~8~ Phase
Rodriguez Carvajal, J; Vallet Regi, M; Gonzalez Calbet, J M; Materials Research Bulletin 24 (1989) 423–430; doi:10.1016/0025-5408(89)90023-8

data_1006023
_publ_section_title
;
Perovskite Threefold Superlattices: A Structure Determination of the
A~3~ M~3~ O~8~ Phase
;
_journal_coden_ASTM              MRBUAC
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              423
_journal_page_last               430
_journal_paper_doi               10.1016/0025-5408(89)90023-8
_journal_volume                  24
_journal_year                    1989
_chemical_formula_structural     'Ca3 Ti Fe2 O8'
_chemical_formula_sum            'Ca3 Fe2 O8 Ti'
_chemical_name_systematic        'Tricalcium titanium diiron(III) oxide'
_space_group_IT_number           26
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      26
_symmetry_space_group_name_Hall  'P 2c -2c'
_symmetry_space_group_name_H-M   'P c m 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.5295(3)
_cell_length_b                   11.2045(6)
_cell_length_c                   5.4379(3)
_cell_volume                     336.9
_refine_ls_R_factor_all          0.1281
_cod_database_code               1006023
Perovskite Threefold Superlattices: A Structure Determination of the A~3~ M~3~ O~8~ Phase
Rodriguez Carvajal, J; Vallet Regi, M; Gonzalez Calbet, J M; Materials Research Bulletin 24 (1989) 423–430; doi:10.1016/0025-5408(89)90023-8

data_1006024
_publ_section_title
;
Perovskite Threefold Superlattices: A Structure Determination of the
A~3~ M~3~ O~8~ Phase
;
_journal_coden_ASTM              MRBUAC
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              423
_journal_page_last               430
_journal_paper_doi               10.1016/0025-5408(89)90023-8
_journal_volume                  24
_journal_year                    1989
_chemical_formula_structural     'Ca3 Mn1.2 Fe1.8 O8'
_chemical_formula_sum            'Ca3 Fe1.8 Mn1.2 O8'
_chemical_name_systematic        'Calcium manganese iron oxide (3/1.2/1.8/8)'
_space_group_IT_number           26
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      26
_symmetry_space_group_name_Hall  'P 2c -2c'
_symmetry_space_group_name_H-M   'P c m 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.4761(2)
_cell_length_b                   11.1506(4)
_cell_length_c                   5.3603(2)
_cell_volume                     327.3
_refine_ls_R_factor_all          0.0808
_cod_database_code               1006024
Structural phase transitions and three-dimensional magnetic ordering in the Nd~2~NiO~4~ oxide
Rodriguez-Carvajal, J; Fernandez-Diaz, M T; Martinez, J L; Fernandez, F; Saez-Puche, R; Europhysics Letters 11 (1990) 261–268; doi:10.1209/0295-5075/11/3/013

data_1006025
_publ_section_title
;
Structural phase transitions and three-dimensional magnetic ordering in
the Nd~2~NiO~4~ oxide
;
_journal_coden_ASTM              EULEEJ
_journal_name_full               'Europhysics Letters'
_journal_page_first              261
_journal_page_last               268
_journal_paper_doi               10.1209/0295-5075/11/3/013
_journal_volume                  11
_journal_year                    1990
_chemical_formula_structural     'Nd2 Ni O4'
_chemical_formula_sum            'Nd2 Ni O4'
_chemical_name_systematic        'Dineodymium nickel oxide'
_space_group_IT_number           64
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      64
_symmetry_space_group_name_Hall  '-B 2ab 2'
_symmetry_space_group_name_H-M   'B m a b'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.3876(5)
_cell_length_b                   5.5883(5)
_cell_length_c                   12.135(1)
_cell_volume                     365.4
_refine_ls_R_factor_all          0.0436
_cod_database_code               1006025
Structural phase transitions and three-dimensional magnetic ordering in the Nd~2~NiO~4~ oxide
Rodriguez-Carvajal, J; Fernandez-Diaz, M T; Martinez, J L; Fernandez, F; Saez-Puche, R; Europhysics Letters 11 (1990) 261–268; doi:10.1209/0295-5075/11/3/013

data_1006026
_publ_section_title
;
Structural phase transitions and three-dimensional magnetic ordering in
the Nd~2~NiO~4~ oxide
;
_journal_coden_ASTM              EULEEJ
_journal_name_full               'Europhysics Letters'
_journal_page_first              261
_journal_page_last               268
_journal_paper_doi               10.1209/0295-5075/11/3/013
_journal_volume                  11
_journal_year                    1990
_chemical_formula_structural     'Nd2 Ni O4'
_chemical_formula_sum            'Nd2 Ni O4'
_chemical_name_systematic        'Dineodymium nickel oxide'
_space_group_IT_number           64
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      64
_symmetry_space_group_name_Hall  '-B 2ab 2'
_symmetry_space_group_name_H-M   'B m a b'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.37325(9)
_cell_length_b                   5.5913(1)
_cell_length_c                   12.0976(2)
_cell_volume                     363.5
_refine_ls_R_factor_all          0.0646
_cod_database_code               1006026
Structural phase transitions and three-dimensional magnetic ordering in the Nd~2~NiO~4~ oxide
Rodriguez-Carvajal, J; Fernandez-Diaz, M T; Martinez, J L; Fernandez, F; Saez-Puche, R; Europhysics Letters 11 (1990) 261–268; doi:10.1209/0295-5075/11/3/013

data_1006027
_publ_section_title
;
Structural phase transitions and three-dimensional magnetic ordering in
the Nd~2~NiO~4~ oxide
;
_journal_coden_ASTM              EULEEJ
_journal_name_full               'Europhysics Letters'
_journal_page_first              261
_journal_page_last               268
_journal_paper_doi               10.1209/0295-5075/11/3/013
_journal_volume                  11
_journal_year                    1990
_chemical_formula_structural     'Nd2 Ni O4'
_chemical_formula_sum            'Nd2 Ni O4'
_chemical_name_systematic        'Dineodymium nickel oxide'
_space_group_IT_number           138
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-P 4ac 2ac'
_symmetry_space_group_name_H-M   'P 42/n c m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.480(1)
_cell_length_b                   5.480(1)
_cell_length_c                   12.057(3)
_cell_volume                     362.1
_refine_ls_R_factor_all          0.0733
_cod_original_sg_symbol_H-M      'P 42/n c m Z'
_cod_database_code               1006027
Crystal and magnetic structures of Bi~2~CuO~4~
Garcia Munoz, J L; Rodriguez Carvajal, J; Sapina, F; Sanchis, M J; Ibanez, R; Beltran Porter, D; Journal of Physics: Condensed Matter 2 (1990) 2205–2214; doi:10.1088/0953-8984/2/9/010

data_1006028
_publ_section_title
;
Crystal and magnetic structures of Bi~2~CuO~4~
;
_journal_coden_ASTM              JCOMEL
_journal_name_full               'Journal of Physics: Condensed Matter'
_journal_page_first              2205
_journal_page_last               2214
_journal_paper_doi               10.1088/0953-8984/2/9/010
_journal_volume                  2
_journal_year                    1990
_chemical_compound_source        Synthetic
_chemical_formula_structural     'Bi2 Cu O4'
_chemical_formula_sum            'Bi2 Cu O4'
_chemical_name_mineral           Kusachiite
_chemical_name_systematic        'Dibismuth copper oxide'
_space_group_IT_number           130
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-P 4a 2ac'
_symmetry_space_group_name_H-M   'P 4/n c c :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.4989(1)
_cell_length_b                   8.4989(1)
_cell_length_c                   5.7973(1)
_cell_volume                     418.7
_database_code_amcsd             0013255
_diffrn_ambient_temperature      1.5
_exptl_crystal_density_diffrn    8.653
_refine_ls_R_factor_all          0.03
_cod_original_sg_symbol_H-M      'P 4/n c c Z'
_cod_database_code               1006028
Crystal and magnetic structures of Bi~2~CuO~4~
Garcia Munoz, J L; Rodriguez Carvajal, J; Sapina, F; Sanchis, M J; Ibanez, R; Beltran Porter, D; Journal of Physics: Condensed Matter 2 (1990) 2205–2214; doi:10.1088/0953-8984/2/9/010

data_1006029
_publ_section_title
;
Crystal and magnetic structures of Bi~2~CuO~4~
;
_journal_coden_ASTM              JCOMEL
_journal_name_full               'Journal of Physics: Condensed Matter'
_journal_page_first              2205
_journal_page_last               2214
_journal_paper_doi               10.1088/0953-8984/2/9/010
_journal_volume                  2
_journal_year                    1990
_chemical_compound_source        Synthetic
_chemical_formula_structural     'Bi2 Cu O4'
_chemical_formula_sum            'Bi2 Cu O4'
_chemical_name_mineral           Kusachiite
_chemical_name_systematic        'Dibismuth copper oxide'
_space_group_IT_number           130
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-P 4a 2ac'
_symmetry_space_group_name_H-M   'P 4/n c c :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.4988(1)
_cell_length_b                   8.4988(1)
_cell_length_c                   5.7976(1)
_cell_volume                     418.8
_database_code_amcsd             0013256
_diffrn_ambient_temperature      30
_exptl_crystal_density_diffrn    8.653
_refine_ls_R_factor_all          0.03
_cod_original_sg_symbol_H-M      'P 4/n c c Z'
_cod_database_code               1006029
Crystal and magnetic structures of Bi~2~CuO~4~
Garcia Munoz, J L; Rodriguez Carvajal, J; Sapina, F; Sanchis, M J; Ibanez, R; Beltran Porter, D; Journal of Physics: Condensed Matter 2 (1990) 2205–2214; doi:10.1088/0953-8984/2/9/010

data_1006030
_publ_section_title
;
Crystal and magnetic structures of Bi~2~CuO~4~
;
_journal_coden_ASTM              JCOMEL
_journal_name_full               'Journal of Physics: Condensed Matter'
_journal_page_first              2205
_journal_page_last               2214
_journal_paper_doi               10.1088/0953-8984/2/9/010
_journal_volume                  2
_journal_year                    1990
_chemical_compound_source        Synthetic
_chemical_formula_structural     'Bi2 Cu O4'
_chemical_formula_sum            'Bi2 Cu O4'
_chemical_name_mineral           Kusachiite
_chemical_name_systematic        'Dibismuth copper oxide'
_space_group_IT_number           130
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-P 4a 2ac'
_symmetry_space_group_name_H-M   'P 4/n c c :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.4987(1)
_cell_length_b                   8.4987(1)
_cell_length_c                   5.7999(1)
_cell_volume                     418.9
_database_code_amcsd             0013257
_diffrn_ambient_temperature      75
_exptl_crystal_density_diffrn    8.649
_refine_ls_R_factor_all          0.03
_cod_original_sg_symbol_H-M      'P 4/n c c Z'
_cod_database_code               1006030
Crystal and magnetic structures of Bi~2~CuO~4~
Garcia Munoz, J L; Rodriguez Carvajal, J; Sapina, F; Sanchis, M J; Ibanez, R; Beltran Porter, D; Journal of Physics: Condensed Matter 2 (1990) 2205–2214; doi:10.1088/0953-8984/2/9/010

data_1006031
_publ_section_title
;
Crystal and magnetic structures of Bi~2~CuO~4~
;
_journal_coden_ASTM              JCOMEL
_journal_name_full               'Journal of Physics: Condensed Matter'
_journal_page_first              2205
_journal_page_last               2214
_journal_paper_doi               10.1088/0953-8984/2/9/010
_journal_volume                  2
_journal_year                    1990
_chemical_compound_source        Synthetic
_chemical_formula_structural     'Bi2 Cu O4'
_chemical_formula_sum            'Bi2 Cu O4'
_chemical_name_mineral           Kusachiite
_chemical_name_systematic        'Dibismuth copper oxide'
_space_group_IT_number           130
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-P 4a 2ac'
_symmetry_space_group_name_H-M   'P 4/n c c :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.5039(1)
_cell_length_b                   8.5039(1)
_cell_length_c                   5.8202(1)
_cell_volume                     420.9
_database_code_amcsd             0013258
_diffrn_ambient_temperature      290
_exptl_crystal_density_diffrn    8.609
_refine_ls_R_factor_all          0.03
_cod_original_sg_symbol_H-M      'P 4/n c c Z'
_cod_database_code               1006031
A structural study of Ni-substituted Pb~2~Sr~2~YCu~3~O~8+δ~
Amador, U.; García-Alvarado, F.; Morán, E.; Alario-Franco, M. A.; Rodriguez-Carjaval, J.; Physica C: Superconductivity and Its Applications (Amsterdam, Netherlands) 165 (1990) 499–504; doi:10.1016/0921-4534(90)90388-U

data_1006032
_publ_section_title
;
 A structural study of Ni-substituted Pb~2~Sr~2~YCu~3~O~8+\d~
;
_journal_coden_ASTM              PHYCE6
_journal_issue                   5-6
_journal_name_full
;
 Physica C: Superconductivity and Its Applications (Amsterdam, Netherlands)
;
_journal_page_first              499
_journal_page_last               504
_journal_paper_doi               10.1016/0921-4534(90)90388-U
_journal_volume                  165
_journal_year                    1990
_chemical_formula_structural     'Pb2 Sr2 Y Ni0.8 Cu2.2 O8'
_chemical_formula_sum            'Cu2.2 Ni0.8 O8 Pb2 Sr2 Y'
_chemical_name_systematic
;
Lead strontium yttrium nickel copper oxide (2/2/1/0.8/2.2/8)
;
_space_group_IT_number           65
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      65
_symmetry_space_group_name_Hall  '-C 2 2'
_symmetry_space_group_name_H-M   'C m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.3956(2)
_cell_length_b                   5.4310(2)
_cell_length_c                   15.6573(7)
_cell_volume                     458.8
_refine_ls_R_factor_all          0.026
_cod_original_formula_sum        'Cu2.2 Ni.8 O8 Pb2 Sr2 Y'
_cod_database_code               1006032
A structural study of Ni-substituted Pb~2~Sr~2~YCu~3~O~8+δ~
Amador, U.; García-Alvarado, F.; Morán, E.; Alario-Franco, M. A.; Rodriguez-Carjaval, J.; Physica C: Superconductivity and Its Applications (Amsterdam, Netherlands) 165 (1990) 499–504; doi:10.1016/0921-4534(90)90388-U

data_1006033
_publ_section_title
;
 A structural study of Ni-substituted Pb~2~Sr~2~YCu~3~O~8+\d~
;
_journal_coden_ASTM              PHYCE6
_journal_issue                   5-6
_journal_name_full
;
 Physica C: Superconductivity and Its Applications (Amsterdam, Netherlands)
;
_journal_page_first              499
_journal_page_last               504
_journal_paper_doi               10.1016/0921-4534(90)90388-U
_journal_volume                  165
_journal_year                    1990
_chemical_formula_structural     'Pb2 Sr2 Y Ni0.8 Cu2.2 O8'
_chemical_formula_sum            'Cu2.2 Ni0.8 O8 Pb2 Sr2 Y'
_chemical_name_systematic
;
Lead strontium yttrium nickel copper oxide (2/2/1/0.8/2.2/8)
;
_space_group_IT_number           65
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      65
_symmetry_space_group_name_Hall  '-C 2 2'
_symmetry_space_group_name_H-M   'C m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.4035(3)
_cell_length_b                   5.4386(3)
_cell_length_c                   15.6965(8)
_cell_volume                     461.3
_refine_ls_R_factor_all          0.034
_cod_original_formula_sum        'Cu2.2 Ni.8 O8 Pb2 Sr2 Y'
_cod_database_code               1006033
Neutron diffraction study of the magnetic structure of Er~2~BaNiO~5~
Alonso, J A; Amador, J; Martinez, J L; Rasines, I; Rodriguez-Carvajal, J; Saez-Puche, R; Solid State Communications 76 (1990) 467–474; doi:10.1016/0038-1098(90)90651-Q

data_1006034
_publ_section_title
;
Neutron diffraction study of the magnetic structure of Er~2~BaNiO~5~
;
_journal_coden_ASTM              SSCOA4
_journal_issue                   4
_journal_name_full               'Solid State Communications'
_journal_page_first              467
_journal_page_last               474
_journal_paper_doi               10.1016/0038-1098(90)90651-Q
_journal_volume                  76
_journal_year                    1990
_chemical_formula_structural     'Er2 Ba Ni O5'
_chemical_formula_sum            'Ba Er2 Ni O5'
_chemical_name_systematic        'Dierbium barium nickel oxide'
_space_group_IT_number           71
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      71
_symmetry_space_group_name_Hall  '-I 2 2'
_symmetry_space_group_name_H-M   'I m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.7472(1)
_cell_length_b                   5.7293(1)
_cell_length_c                   11.2755(2)
_cell_volume                     242.1
_refine_ls_R_factor_all          0.044
_cod_database_code               1006034