LMucko/crystallography-open-database huggingface dataset:
Crystal and Magnetic Structure in Co-Substituted BiFeO3
Izabela Sosnowska; Masaki Azuma; Radosław Przeniosło; Dariusz Wardecki; Wei-tin Chen; Kengo Oka; Yuichi Shimakawa; Inorganic Chemistry 52 (2013) 13269–13277; doi:10.1021/ic402427q

data_4336775
_publ_contact_author_email       izabela@fuw.edu.pl
_publ_contact_author_name        'Izabela Sosnowska'
_publ_section_title
;
 Crystal and Magnetic Structure in Co-Substituted BiFeO3
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              13269
_journal_page_last               13277
_journal_paper_doi               10.1021/ic402427q
_journal_volume                  52
_journal_year                    2013
_chemical_formula_sum            'Bi Fe O3'
_chemical_name_common            'bismuth ferrite'
_space_group_IT_number           161
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  'R 3 -2"c'
_symmetry_space_group_name_H-M   'R 3 c :H'
_cell_angle_alpha                90.00000
_cell_angle_beta                 90.00000
_cell_angle_gamma                120.00000
_cell_formula_units_Z            6
_cell_length_a                   5.57973(2)
_cell_length_b                   5.57973(2)
_cell_length_c                   13.87208(4)
_cell_measurement_temperature    295
_cell_volume                     374.023(2)
_computing_structure_refinement  FULLPROF
_diffrn_ambient_temperature      295
_diffrn_radiation_probe          neutron
_diffrn_radiation_type           'TOF Neutron Diffraction'
_diffrn_source                   'spallation source'
_diffrn_source_type              'HRPD at ISIS'
_pd_meas_2theta_fixed            168.3300
_pd_meas_2theta_range_inc        6.851413
_pd_meas_2theta_range_max        125012.46094
_pd_meas_2theta_range_min        31367.02734
_pd_meas_number_of_points        13671
_pd_proc_ls_prof_R_factor        3.8540
_pd_proc_ls_prof_wR_expected     3.4869
_pd_proc_ls_prof_wR_factor       4.8624
_refine_ls_number_parameters     25
_refine_ls_number_reflns         262
_refine_ls_number_restraints     0
_refine_ls_R_I_factor            5.7481
_cod_data_source_file            ic402427q_si_001.cif
_cod_data_source_block           BiFeO3_295K
_cod_original_cell_volume        374.023(14)
_cod_original_sg_symbol_H-M      'R 3 c'
_cod_database_code               4336775
_pd_proc_ls_prof_cr_factor       13.3634
_pd_proc_ls_prof_cwr_factor      11.3604
_pd_proc_ls_prof_cwr_expected    8.1467
_pd_proc_ls_prof_chi2            1.9446
_pd_proc_ls_prof_echi2           2.1260
Crystal and Magnetic Structure in Co-Substituted BiFeO3
Izabela Sosnowska; Masaki Azuma; Radosław Przeniosło; Dariusz Wardecki; Wei-tin Chen; Kengo Oka; Yuichi Shimakawa; Inorganic Chemistry 52 (2013) 13269–13277; doi:10.1021/ic402427q

data_4336776
_publ_contact_author_email       izabela@fuw.edu.pl
_publ_contact_author_name        'Izabela Sosnowska'
_publ_section_title
;
 Crystal and Magnetic Structure in Co-Substituted BiFeO3
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              13269
_journal_page_last               13277
_journal_paper_doi               10.1021/ic402427q
_journal_volume                  52
_journal_year                    2013
_chemical_formula_sum            'Bi Fe O3'
_chemical_name_common            'bismuth ferrite'
_space_group_IT_number           161
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  'R 3 -2"c'
_symmetry_space_group_name_H-M   'R 3 c :H'
_cell_angle_alpha                90.00000
_cell_angle_beta                 90.00000
_cell_angle_gamma                120.00000
_cell_formula_units_Z            6
_cell_length_a                   5.57174(2)
_cell_length_b                   5.57174(2)
_cell_length_c                   13.83512(4)
_cell_measurement_temperature    10
_cell_volume                     371.959(2)
_computing_structure_refinement  FULLPROF
_diffrn_ambient_temperature      10
_diffrn_radiation_probe          neutron
_diffrn_radiation_type           'TOF Neutron Diffraction'
_diffrn_source                   'spallation source'
_diffrn_source_type              'HRPD at ISIS'
_pd_meas_2theta_fixed            168.3300
_pd_meas_2theta_range_inc        6.851413
_pd_meas_2theta_range_max        125012.46094
_pd_meas_2theta_range_min        31367.02734
_pd_meas_number_of_points        13671
_pd_proc_ls_prof_R_factor        3.8540
_pd_proc_ls_prof_wR_expected     3.4869
_pd_proc_ls_prof_wR_factor       4.8624
_refine_ls_number_parameters     25
_refine_ls_number_reflns         262
_refine_ls_number_restraints     0
_refine_ls_R_I_factor            5.7481
_cod_data_source_file            ic402427q_si_002.cif
_cod_data_source_block           BiFeO3_10K
_cod_original_cell_volume        371.959(14)
_cod_original_sg_symbol_H-M      'R 3 c'
_cod_database_code               4336776
_pd_proc_ls_prof_cr_factor       13.3634
_pd_proc_ls_prof_cwr_factor      11.3604
_pd_proc_ls_prof_cwr_expected    8.1467
_pd_proc_ls_prof_chi2            1.9446
_pd_proc_ls_prof_echi2           2.1260
Crystal and Magnetic Structure in Co-Substituted BiFeO3
Izabela Sosnowska; Masaki Azuma; Radosław Przeniosło; Dariusz Wardecki; Wei-tin Chen; Kengo Oka; Yuichi Shimakawa; Inorganic Chemistry 52 (2013) 13269–13277; doi:10.1021/ic402427q

data_4336777
_publ_contact_author_email       izabela@fuw.edu.pl
_publ_contact_author_name        'Izabela Sosnowska'
_publ_section_title
;
 Crystal and Magnetic Structure in Co-Substituted BiFeO3
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              13269
_journal_page_last               13277
_journal_paper_doi               10.1021/ic402427q
_journal_volume                  52
_journal_year                    2013
_chemical_formula_sum            'Bi Co0.2 Fe0.8 O3'
_chemical_name_common            'Co-doped bismuth ferrite'
_space_group_IT_number           161
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  'R 3 -2"c'
_symmetry_space_group_name_H-M   'R 3 c :H'
_cell_angle_alpha                90.00000
_cell_angle_beta                 90.00000
_cell_angle_gamma                120.00000
_cell_formula_units_Z            6
_cell_length_a                   5.55507(2)
_cell_length_b                   5.55507(2)
_cell_length_c                   13.77001(4)
_cell_measurement_temperature    295
_cell_volume                     367.997(2)
_computing_structure_refinement  FULLPROF
_diffrn_ambient_temperature      295
_diffrn_radiation_probe          neutron
_diffrn_radiation_type           'TOF Neutron Diffraction'
_diffrn_source                   'spallation source'
_diffrn_source_type              'HRPD at ISIS'
_pd_meas_2theta_fixed            168.3300
_pd_meas_2theta_range_inc        6.851413
_pd_meas_2theta_range_max        125012.46094
_pd_meas_2theta_range_min        31367.02734
_pd_meas_number_of_points        13671
_pd_proc_ls_prof_R_factor        3.8540
_pd_proc_ls_prof_wR_expected     3.4869
_pd_proc_ls_prof_wR_factor       4.8624
_refine_ls_number_parameters     25
_refine_ls_number_reflns         262
_refine_ls_number_restraints     0
_refine_ls_R_I_factor            5.7481
_cod_data_source_file            ic402427q_si_003.cif
_cod_data_source_block           BiFeCoO3_295K
_cod_original_cell_volume        367.997(14)
_cod_original_sg_symbol_H-M      'R 3 c'
_cod_database_code               4336777
_pd_proc_ls_prof_cr_factor       13.3634
_pd_proc_ls_prof_cwr_factor      11.3604
_pd_proc_ls_prof_cwr_expected    8.1467
_pd_proc_ls_prof_chi2            1.9446
_pd_proc_ls_prof_echi2           2.1260
Crystal and Magnetic Structure in Co-Substituted BiFeO3
Izabela Sosnowska; Masaki Azuma; Radosław Przeniosło; Dariusz Wardecki; Wei-tin Chen; Kengo Oka; Yuichi Shimakawa; Inorganic Chemistry 52 (2013) 13269–13277; doi:10.1021/ic402427q

data_4336778
_publ_contact_author_email       izabela@fuw.edu.pl
_publ_contact_author_name        'Izabela Sosnowska'
_publ_section_title
;
 Crystal and Magnetic Structure in Co-Substituted BiFeO3
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              13269
_journal_page_last               13277
_journal_paper_doi               10.1021/ic402427q
_journal_volume                  52
_journal_year                    2013
_chemical_formula_sum            'Bi Fe O3'
_chemical_name_common            'Bismuth ferrite'
_space_group_IT_number           161
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  'R 3 -2"c'
_symmetry_space_group_name_H-M   'R 3 c :H'
_cell_angle_alpha                90.00000
_cell_angle_beta                 90.00000
_cell_angle_gamma                120.00000
_cell_formula_units_Z            6
_cell_length_a                   5.54216(2)
_cell_length_b                   5.54216(2)
_cell_length_c                   13.71829(4)
_cell_measurement_temperature    10
_cell_volume                     364.912(2)
_computing_structure_refinement  FULLPROF
_diffrn_ambient_temperature      10
_diffrn_radiation_probe          neutron
_diffrn_radiation_type           'TOF Neutron Diffraction'
_diffrn_source                   'spallation source'
_diffrn_source_type              'HRPD at ISIS'
_pd_meas_2theta_fixed            168.3300
_pd_meas_2theta_range_inc        6.851413
_pd_meas_2theta_range_max        125012.46094
_pd_meas_2theta_range_min        31367.02734
_pd_meas_number_of_points        13671
_pd_proc_ls_prof_R_factor        3.8540
_pd_proc_ls_prof_wR_expected     3.4869
_pd_proc_ls_prof_wR_factor       4.8624
_refine_ls_number_parameters     25
_refine_ls_number_reflns         262
_refine_ls_number_restraints     0
_refine_ls_R_I_factor            5.7481
_cod_data_source_file            ic402427q_si_004.cif
_cod_data_source_block           BiFeCoO3_10K
_cod_original_cell_volume        364.912(14)
_cod_original_sg_symbol_H-M      'R 3 c'
_cod_database_code               4336778
_pd_proc_ls_prof_cr_factor       13.3634
_pd_proc_ls_prof_cwr_factor      11.3604
_pd_proc_ls_prof_cwr_expected    8.1467
_pd_proc_ls_prof_chi2            1.9446
_pd_proc_ls_prof_echi2           2.1260
Crystal and Magnetic Structure in Co-Substituted BiFeO3
Izabela Sosnowska; Masaki Azuma; Radosław Przeniosło; Dariusz Wardecki; Wei-tin Chen; Kengo Oka; Yuichi Shimakawa; Inorganic Chemistry 52 (2013) 13269–13277; doi:10.1021/ic402427q

data_4336779
_publ_contact_author_email       izabela@fuw.edu.pl
_publ_contact_author_name        'Izabela Sosnowska'
_publ_section_title
;
 Crystal and Magnetic Structure in Co-Substituted BiFeO3
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              13269
_journal_page_last               13277
_journal_paper_doi               10.1021/ic402427q
_journal_volume                  52
_journal_year                    2013
_chemical_formula_sum            'Bi Co0.2 Fe0.8 O3'
_chemical_name_common            'Co doped 'bismuth ferrite'
_space_group_IT_number           8
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C -2y'
_symmetry_space_group_name_H-M   'C 1 m 1'
_cell_angle_alpha                90.00000
_cell_angle_beta                 90.0935(9)
_cell_angle_gamma                90.00000
_cell_formula_units_Z            2
_cell_length_a                   5.33416(7)
_cell_length_b                   5.33424(7)
_cell_length_c                   4.70269(3)
_cell_measurement_temperature    573
_cell_volume                     133.809(3)
_computing_structure_refinement  FULLPROF
_diffrn_ambient_temperature      573
_diffrn_radiation_probe          neutron
_diffrn_radiation_type           'TOF Neutron Diffraction'
_diffrn_source                   'spallation source'
_diffrn_source_type              'HRPD at ISIS'
_pd_meas_2theta_fixed            168.3300
_pd_meas_2theta_range_inc        6.851413
_pd_meas_2theta_range_max        125012.46094
_pd_meas_2theta_range_min        31367.02734
_pd_meas_number_of_points        13671
_pd_proc_ls_prof_R_factor        6.9637
_pd_proc_ls_prof_wR_expected     8.1315
_pd_proc_ls_prof_wR_factor       7.7789
_refine_ls_number_parameters     34
_refine_ls_number_reflns         445
_refine_ls_number_restraints     0
_refine_ls_R_I_factor            7.3079
_cod_data_source_file            ic402427q_si_005.cif
_cod_data_source_block           BiFeCoO3_573K
_cod_original_sg_symbol_H-M      'C m'
_cod_database_code               4336779
_pd_proc_ls_prof_cr_factor       38.3731
_pd_proc_ls_prof_cwr_factor      24.4476
_pd_proc_ls_prof_cwr_expected    25.5558
_pd_proc_ls_prof_chi2            0.9151
_pd_proc_ls_prof_echi2           1.0526
Crystal Structures of Manganese and Cobalt Dichloride Monohydrate and Deuteration Effects on Magnetic Behavior
S. Pagola; K. T. Trowell; K. C. Havas; Z. D. Reed; D. G. Chan; M. J. Van Dongen; G. C. DeFotis; Inorganic Chemistry 52 (2013) 13341–13350; doi:10.1021/ic4013075

data_4336799
_publ_section_title
;
 Crystal Structures of Manganese and Cobalt Dichloride Monohydrate and
 Deuteration Effects on Magnetic Behavior
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              13341
_journal_page_last               13350
_journal_paper_doi               10.1021/ic4013075
_journal_volume                  52
_journal_year                    2013
_chemical_formula_moiety         'Cl2 H2 Mn O'
_chemical_formula_sum            'Cl2 H2 Mn O'
_chemical_formula_weight         143.86
_chemical_name_systematic        ' Manganese(II) chloride monohydrate'
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   9.0339(1)
_cell_length_b                   3.68751(5)
_cell_length_c                   11.5385(2)
_cell_volume                     384.377(9)
_computing_structure_refinement  GSAS
_computing_structure_solution    EXPO2004
_diffrn_ambient_pressure         101
_diffrn_ambient_temperature      298
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.699204
_exptl_crystal_density_diffrn    2.486
_pd_char_colour                  pink
_refine_ls_goodness_of_fit_all   1.13
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     56
_refine_ls_number_restraints     0
_cod_data_source_file            ic4013075_si_001.cif
_cod_data_source_block           MnCl2.H2O
_cod_database_code               4336799
Crystal Structures of Manganese and Cobalt Dichloride Monohydrate and Deuteration Effects on Magnetic Behavior
S. Pagola; K. T. Trowell; K. C. Havas; Z. D. Reed; D. G. Chan; M. J. Van Dongen; G. C. DeFotis; Inorganic Chemistry 52 (2013) 13341–13350; doi:10.1021/ic4013075

data_4336800
_publ_section_title
;
 Crystal Structures of Manganese and Cobalt Dichloride Monohydrate and
 Deuteration Effects on Magnetic Behavior
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              13341
_journal_page_last               13350
_journal_paper_doi               10.1021/ic4013075
_journal_volume                  52
_journal_year                    2013
_chemical_formula_moiety         'Cl2 Co H2 O'
_chemical_formula_sum            'Cl2 Co H2 O'
_chemical_formula_weight         147.85
_chemical_name_systematic        'Cobalt(II) chloride monohydrate'
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   8.8207(3)
_cell_length_b                   3.5435(1)
_cell_length_c                   11.2944(4)
_cell_volume                     353.02(2)
_computing_structure_refinement  GSAS
_computing_structure_solution    EXPO2004
_diffrn_ambient_pressure         101
_diffrn_ambient_temperature      298
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.699204
_exptl_crystal_density_diffrn    2.782
_pd_char_colour                  purple
_refine_ls_goodness_of_fit_all   1.11
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     53
_refine_ls_number_restraints     0
_cod_data_source_file            ic4013075_si_002.cif
_cod_data_source_block           CoCl2.H2O
_cod_database_code               4336800
Crystal Structures of Manganese and Cobalt Dichloride Monohydrate and Deuteration Effects on Magnetic Behavior
S. Pagola; K. T. Trowell; K. C. Havas; Z. D. Reed; D. G. Chan; M. J. Van Dongen; G. C. DeFotis; Inorganic Chemistry 52 (2013) 13341–13350; doi:10.1021/ic4013075

data_4336801
_publ_section_title
;
 Crystal Structures of Manganese and Cobalt Dichloride Monohydrate and
 Deuteration Effects on Magnetic Behavior
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              13341
_journal_page_last               13350
_journal_paper_doi               10.1021/ic4013075
_journal_volume                  52
_journal_year                    2013
_chemical_formula_moiety         'Cl2 D2 Mn O'
_chemical_formula_sum            'Cl2 D2 Mn O'
_chemical_formula_weight         145.86
_chemical_name_systematic
'Manganese(II) chloride deuterated monohydrate'
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   9.0345(2)
_cell_length_b                   3.68721(8)
_cell_length_c                   11.5356(3)
_cell_volume                     384.275(16)
_computing_structure_refinement  GSAS
_computing_structure_solution    EXPO2004
_diffrn_ambient_pressure         101
_diffrn_ambient_temperature      298
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.700095
_exptl_crystal_density_diffrn    2.521
_exptl_crystal_F_000             276.0
_pd_char_colour                  pink
_refine_ls_goodness_of_fit_all   1.10
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     55
_refine_ls_number_restraints     0
_cod_data_source_file            ic4013075_si_003.cif
_cod_data_source_block           MnCl2.D2O
_cod_database_code               4336801
Crystal Structures of Manganese and Cobalt Dichloride Monohydrate and Deuteration Effects on Magnetic Behavior
S. Pagola; K. T. Trowell; K. C. Havas; Z. D. Reed; D. G. Chan; M. J. Van Dongen; G. C. DeFotis; Inorganic Chemistry 52 (2013) 13341–13350; doi:10.1021/ic4013075

data_4336802
_publ_section_title
;
 Crystal Structures of Manganese and Cobalt Dichloride Monohydrate and
 Deuteration Effects on Magnetic Behavior
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              13341
_journal_page_last               13350
_journal_paper_doi               10.1021/ic4013075
_journal_volume                  52
_journal_year                    2013
_chemical_formula_moiety         'Cl2 Co D2 O'
_chemical_formula_sum            'Cl2 Co D2 O'
_chemical_formula_weight         149.85
_chemical_name_systematic        'Cobalt(II) chloride deuterated monohydrate'
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   8.8258(2)
_cell_length_b                   3.5446(1)
_cell_length_c                   11.2998(4)
_cell_volume                     353.502(18)
_computing_structure_refinement  GSAS
_computing_structure_solution    EXPO2004
_diffrn_ambient_pressure         101
_diffrn_ambient_temperature      298
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.700095
_exptl_crystal_density_diffrn    2.816
_exptl_crystal_F_000             284.0
_pd_char_colour                  purple
_refine_ls_goodness_of_fit_all   1.17
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     22
_refine_ls_number_restraints     0
_cod_data_source_file            ic4013075_si_004.cif
_cod_data_source_block           CoCl2.D2O
_cod_database_code               4336802
Magnetic Structure and Electromagnetic Properties of LnCrAsO with a ZrCuSiAs-type Structure (Ln = La, Ce, Pr, and Nd)
Sang-Won Park; Hiroshi Mizoguchi; Katsuaki Kodama; Shin-ichi Shamoto; Toshiya Otomo; Satoru Matsuishi; Toshio Kamiya; Hideo Hosono; Inorganic Chemistry 52 (2013) 13363–13368; doi:10.1021/ic401487q

data_4336803
_publ_contact_author_address     'Tokyo Inst. Tech., Japan'
_publ_contact_author_email       hosono@lucid.msl.titech.ac.jp
_publ_contact_author_name        Hosono
_publ_section_title
;
 Magnetic Structure and Electromagnetic Properties of LnCrAsO with a
 ZrCuSiAs-type Structure (Ln = La, Ce, Pr, and Nd)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              13363
_journal_page_last               13368
_journal_paper_doi               10.1021/ic401487q
_journal_volume                  52
_journal_year                    2013
_chemical_formula_moiety         'As Cr La O'
_chemical_formula_sum            'As Cr La O'
_chemical_name_common            'Lanthanum chromium oxyarsenide'
_chemical_name_mineral           LaCrAsO
_space_group_IT_number           129
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      129
_symmetry_space_group_name_Hall  '-P 4a 2a'
_symmetry_space_group_name_H-M   'P 4/n m m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.0412(3)
_cell_length_b                   4.0412(3)
_cell_length_c                   8.9863(7)
_cell_volume                     146.758(19)
_diffrn_ambient_temperature      300
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.5413
_exptl_crystal_colour            black
_cod_data_source_file            ic401487q_si_001_1.cif
_cod_data_source_block           global
_cod_original_cell_volume        146.76(2)
_cod_original_sg_symbol_H-M      'P 4/n m m'
_cod_database_code               4336803