LMucko/crystallography-open-database huggingface dataset:
The Crystal Structure of PbS2O3
Christensen, A. Norlund; Hazell, R. G.; Hewat, A. W.; O Reilly, K. P. J.; Acta Chemica Scandinavica 45 (1991) 469–473; doi:10.3891/acta.chem.scand.45-0469

data_1559465
_publ_section_title
;
 The Crystal Structure of PbS2O3
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              469
_journal_page_last               473
_journal_paper_doi               10.3891/acta.chem.scand.45-0469
_journal_volume                  45
_journal_year                    1991
_chemical_formula_sum            'O3 Pb S2'
_chemical_formula_weight         319.328
_chemical_name_common
;
PbS2O3
;
_space_group_IT_number           61
_space_group_name_Hall           '-P 2ac 2ab'
_space_group_name_H-M_alt        'P b c a'
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            8
_cell_length_a                   7.1800(1)
_cell_length_b                   6.9195(1)
_cell_length_c                   16.1096(2)
_cell_volume                     800.357(19)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         synchrotron
_diffrn_radiation_wavelength     1.23234
_exptl_absorpt_coefficient_mu    48.873
_exptl_crystal_density_diffrn    5.300
_exptl_crystal_F_000             1104
_pd_proc_ls_prof_R_factor        0.077
_pd_proc_ls_prof_wR_expected     0.042
_pd_proc_ls_prof_wR_factor       0.108
_refine_ls_R_I_factor            0.081
_cod_data_source_file            Acta-Chem-Scand-1991-45-469-2.cif
_cod_data_source_block           2
_cod_database_code               1559465
Cobalt(III) Cage Complexes Linked to 4-Pyridyl: Models for Protein Modification
Gajhede, Michael; Hammershoi, Anders; Skov, Lars Kobberoe; Acta Chemica Scandinavica 45 (1991) 474–481; doi:10.3891/acta.chem.scand.45-0474

data_1559466
_publ_section_title
;
 Cobalt(III) Cage Complexes Linked to 4-Pyridyl: Models for Protein
 Modification
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              474
_journal_page_last               481
_journal_paper_doi               10.3891/acta.chem.scand.45-0474
_journal_volume                  45
_journal_year                    1991
_chemical_formula_moiety         'C21 H40 Co N8, 3(C F3 O3 S), H2 O'
_chemical_formula_sum            'C24 H42 Co F9 N8 O10 S3'
_chemical_formula_weight         928.76
_chemical_name_common
;
1-methy1-8-(4-pyridyl-methylamino)-3,6,10,13,16,19-
hexaazabicyclo[6.6.6]eicocanecobalt(III) tristrifluoromethane 
sulfonate monohydrate ([Co(H3CsarNHCH2py)](O,SCF3)3.H2O)
;
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                67.45(3)
_cell_angle_beta                 88.43(4)
_cell_angle_gamma                85.02(4)
_cell_formula_units_Z            2
_cell_length_a                   9.035(5)
_cell_length_b                   14.171(5)
_cell_length_c                   15.170(5)
_cell_volume                     1787.0(14)
_diffrn_ambient_temperature      110
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.754
_exptl_crystal_density_diffrn    1.65
_exptl_crystal_F_000             956
_refine_ls_number_reflns         6042
_refine_ls_R_factor_gt           0.060
_refine_ls_wR_factor_gt          0.076
_cod_data_source_file            Acta-Chem-Scand-1991-45-474.cif
_cod_data_source_block           1
_cod_database_code               1559466
Crystal chemistry of Sr-rich piemontite from manganese ore deposit of the Tone mine, Nishisonogi Peninsula, Nagasaki, southwest Japan
Nagashima, M.; Sano, Y.; Kochi, T.; Akasaka, M.; Sano-Furukawa, A.; Journal of Mineralogical and Petrological Sciences 115 (2020) 391–406; doi:10.2465/jmps.191122

data_1559485
_publ_section_title
;
 Crystal chemistry of Sr-rich piemontite from manganese ore deposit of the
 Tone mine, Nishisonogi Peninsula, Nagasaki, southwest Japan
;
_journal_name_full
'Journal of Mineralogical and Petrological Sciences'
_journal_page_first              391
_journal_page_last               406
_journal_paper_doi               10.2465/jmps.191122
_journal_volume                  115
_journal_year                    2020
_chemical_formula_sum
'Al1.99 Ca1.73 Fe0.37 H Mg0.01 Mn0.68 O13 Si2.99 Sr0.22'
_chemical_name_common
(Ca1.73Sr0.22)(Al1.99Mn0.68Fe0.37Mg0.01)Si2.99O12(OH)
_chemical_name_mineral           'Sr-rich piemontite'
_space_group_IT_number           11
_space_group_name_Hall           '-P 2yb'
_space_group_name_H-M_alt        'P 1 21/m 1'
_cell_angle_alpha                90.000000
_cell_angle_beta                 115.1000(10)
_cell_angle_gamma                90.000000
_cell_formula_units_Z            2
_cell_length_a                   8.89420(10)
_cell_length_b                   5.65400(10)
_cell_length_c                   10.1928(2)
_cell_volume                     464.171(14)
_diffrn_ambient_pressure         100
_diffrn_ambient_temperature      298
_cod_data_source_file            Sr-rich-piemontite.cif
_cod_data_source_block           Sr-rich-piemontite
_cod_original_cell_volume        464.170608
_cod_original_sg_symbol_H-M      'P 21/m'
_cod_original_formula_sum
'Ca1.73 Sr0.22 Al1.99 Mn0.68 Fe0.37 Mg0.01 Si2.99 O13 H1'
_cod_database_code               1559485
Comparative study of structure-catalytic activity relationship for Ni-Cr-Al-O and Cu-Ni-Cr-Al-O spinel oxide soloid solutions
Hirakawa, T.; Tokuzumi, .W; Shimokawa, Y.; Sato, T.; Yoshida, H.; Ohyama, J.; Machida, M.; Journal of the Ceramic Society of Japan 128 (2020) 906–911; doi:10.2109/jcersj2.20101

data_1559486
_publ_section_title
;
 Comparative study of structure-catalytic activity relationship for
 Ni-Cr-Al-O and Cu-Ni-Cr-Al-O spinel oxide soloid solutions
;
_journal_name_full               'Journal of the Ceramic Society of Japan'
_journal_page_first              906
_journal_page_last               911
_journal_paper_doi               10.2109/jcersj2.20101
_journal_volume                  128
_journal_year                    2020
_chemical_formula_sum            'Al1.8 Cr0.2 Ni O4'
_chemical_name_common
'spinel (Ni0.15Al0.85)(Ni0.425Al0.475Cr0.1)2O4'
_space_group_IT_number           227
_space_group_name_Hall           '-F 4vw 2vw 3'
_space_group_name_H-M_alt        'F d -3 m :2'
_cell_angle_alpha                90.000000
_cell_angle_beta                 90.000000
_cell_angle_gamma                90.000000
_cell_formula_units_Z            8
_cell_length_a                   8.0735(2)
_cell_length_b                   8.0735(2)
_cell_length_c                   8.0735(2)
_cell_volume                     526.24(2)
_diffrn_ambient_pressure         100
_diffrn_ambient_temperature      298
_cod_data_source_file            NiAlCrO4.cif
_cod_data_source_block           NiAlCrO4
_cod_original_cell_volume        526.241988
_cod_original_sg_symbol_H-M      'F d -3 m'
_cod_original_formula_sum        'Ni1.0 Al1.8 Cr0.2 O4'
_cod_database_code               1559486
Comparative study of structure-catalytic activity relationship for Ni-Cr-Al-O and Cu-Ni-Cr-Al-O spinel oxide soloid solutions
Hirakawa, T.; Tokuzumi, .W; Shimokawa, Y.; Sato, T.; Yoshida, H.; Ohyama, J.; Machida, M.; Journal of the Ceramic Society of Japan 128 (2020) 906–911; doi:10.2109/jcersj2.20101

data_1559487
_publ_section_title
;
 Comparative study of structure-catalytic activity relationship for
 Ni-Cr-Al-O and Cu-Ni-Cr-Al-O spinel oxide soloid solutions
;
_journal_name_full               'Journal of the Ceramic Society of Japan'
_journal_page_first              906
_journal_page_last               911
_journal_paper_doi               10.2109/jcersj2.20101
_journal_volume                  128
_journal_year                    2020
_chemical_formula_sum            'Al1.8 Cr0.2 Cu0.05 Ni0.95 O4'
_chemical_name_common
'spinel (Cu0.05Ni0.11Al0.84)(Ni0.42Al0.48Cr0.1)2O4'
_space_group_IT_number           227
_space_group_name_Hall           '-F 4vw 2vw 3'
_space_group_name_H-M_alt        'F d -3 m :2'
_cell_angle_alpha                90.000000
_cell_angle_beta                 90.000000
_cell_angle_gamma                90.000000
_cell_formula_units_Z            8
_cell_length_a                   8.07220(10)
_cell_length_b                   8.07220(10)
_cell_length_c                   8.07220(10)
_cell_volume                     525.988(11)
_diffrn_ambient_pressure         100
_diffrn_ambient_temperature      298
_cod_data_source_file            CuNiAlCrO4.cif
_cod_data_source_block           CuNiAlCrO4
_cod_original_cell_volume        525.987850
_cod_original_sg_symbol_H-M      'F d -3 m'
_cod_original_formula_sum        'Cu0.05 Ni0.95 Al1.8 Cr0.2 O4'
_cod_database_code               1559487
Rakovský, Erik; Hrobárik, Peter; Osuský, Patrik; To be published  () –; doi:

data_3000280
_journal_name_full               'To be published'
_chemical_formula_sum            'C48 H32 Cl3 N3 S'
_chemical_name_systematic
4,7-bis[4-(N,N-diphenylamino)phenylethynyl]benzothiazole
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_cell_angle_alpha                114.536(7)
_cell_angle_beta                 99.447(8)
_cell_angle_gamma                101.858(6)
_cell_length_a                   10.5498(8)
_cell_length_b                   14.4285(11)
_cell_length_c                   15.594(2)
_cell_measurement_temperature    293
_cell_volume                     2028.6(4)
_diffrn_ambient_temperature      293.15
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54186
_refine_ls_goodness_of_fit_ref   0.893
_refine_ls_R_factor_all          0.0885
_refine_ls_R_factor_gt           0.0455
_refine_ls_wR_factor_gt          0.1233
_refine_ls_wR_factor_ref         0.1384
_cod_database_code               3000280
_cod_hold_until_date             2021-10-09
Performic Acid Oxidation of 1-Methylbicyclo[2.2.1]hept-5-en-2-one. Elucidation of Reaction Products by Multinuclear NMR Spectroscopy, X-Ray Diffraction and Molecular Mechanics Calculations
Laihia, Katri; Rissanen, Kari; Kolehmainen, Erkki; Korvola, Jorma; Leskinen, Kari; Acta Chemica Scandinavica 45 (1991) 499–507; doi:10.3891/acta.chem.scand.45-0499

data_1559488
_publ_section_title
;
 Performic Acid Oxidation of 1-Methylbicyclo[2.2.1]hept-5-en-2-one.
 Elucidation of Reaction Products by Multinuclear NMR Spectroscopy, X-Ray
 Diffraction and Molecular Mechanics Calculations
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              499
_journal_page_last               507
_journal_paper_doi               10.3891/acta.chem.scand.45-0499
_journal_volume                  45
_journal_year                    1991
_chemical_formula_sum            'C8 H12 O4'
_chemical_formula_weight         172.18
_chemical_name_common
;
endo,exo-7,8-dihydroxy-exo-7-methyl-
;
_space_group_IT_number           61
_space_group_name_Hall           '-P 2ac 2ab'
_space_group_name_H-M_alt        'P b c a'
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            8
_cell_length_a                   17.606(5)
_cell_length_b                   9.760(3)
_cell_length_c                   9.693(2)
_cell_volume                     1665.6(8)
_diffrn_ambient_temperature      296
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.10
_exptl_crystal_density_diffrn    1.373
_exptl_crystal_F_000             736
_refine_ls_goodness_of_fit_ref   1.11
_refine_ls_number_parameters     145
_refine_ls_number_reflns         870
_refine_ls_R_factor_gt           0.063
_refine_ls_wR_factor_gt          0.061
_cod_data_source_file            Acta-Chem-Scand-1991-45-499-1.cif
_cod_data_source_block           1
_cod_database_code               1559488
Performic Acid Oxidation of 1-Methylbicyclo[2.2.1]hept-5-en-2-one. Elucidation of Reaction Products by Multinuclear NMR Spectroscopy, X-Ray Diffraction and Molecular Mechanics Calculations
Laihia, Katri; Rissanen, Kari; Kolehmainen, Erkki; Korvola, Jorma; Leskinen, Kari; Acta Chemica Scandinavica 45 (1991) 499–507; doi:10.3891/acta.chem.scand.45-0499

data_1559489
_publ_section_title
;
 Performic Acid Oxidation of 1-Methylbicyclo[2.2.1]hept-5-en-2-one.
 Elucidation of Reaction Products by Multinuclear NMR Spectroscopy, X-Ray
 Diffraction and Molecular Mechanics Calculations
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              499
_journal_page_last               507
_journal_paper_doi               10.3891/acta.chem.scand.45-0499
_journal_volume                  45
_journal_year                    1991
_chemical_formula_sum            'C8 H12 O4'
_chemical_formula_weight         172.18
_chemical_name_common
;
exo,endo-7,8-dihydroxy-endo-7-methyl-
;
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                83.43(1)
_cell_angle_beta                 79.01(1)
_cell_angle_gamma                75.23(1)
_cell_formula_units_Z            2
_cell_length_a                   5.976(1)
_cell_length_b                   7.160(2)
_cell_length_c                   10.307(2)
_cell_volume                     417.62(16)
_diffrn_ambient_temperature      296
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.10
_exptl_crystal_density_diffrn    1.369
_exptl_crystal_F_000             184
_refine_ls_goodness_of_fit_ref   1.64
_refine_ls_number_parameters     145
_refine_ls_number_reflns         683
_refine_ls_R_factor_gt           0.040
_refine_ls_wR_factor_gt          0.039
_cod_data_source_file            Acta-Chem-Scand-1991-45-499-2.cif
_cod_data_source_block           2
_cod_database_code               1559489
Stereochemistry of 1-Arylpropane-1,2-diol 2-Aryl Ethers. X-Ray Structures of the Diastereomers of 1-(4-Acetoxy-3,5-dimethoxyphenyl)-2-{2,6-dimethoxy-4- [(E)-propenyl]phenoxy}propyl Acetate
Wallis, Adrian F. A.; Lundquist, Knut; Stomberg, Rolf; Acta Chemica Scandinavica 45 (1991) 508–516; doi:10.3891/acta.chem.scand.45-0508

data_1559490
_publ_section_title
;
 Stereochemistry of 1-Arylpropane-1,2-diol 2-Aryl Ethers. X-Ray Structures
 of the Diastereomers of
 1-(4-Acetoxy-3,5-dimethoxyphenyl)-2-{2,6-dimethoxy-4-
 [(E)-propenyl]phenoxy}propyl Acetate
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              508
_journal_page_last               516
_journal_paper_doi               10.3891/acta.chem.scand.45-0508
_journal_volume                  45
_journal_year                    1991
_chemical_formula_sum            'C26 H32 O9'
_chemical_formula_weight         488.53
_chemical_name_common
;
threo-1-(4-Acetoxy-3,5-dimethoxyphenyl)-2-{2,6-dimethoxy-4-
[(E)-propenyl]phenoxy}propyl Acetate
;
_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                 106.44(2)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   8.446(4)
_cell_length_b                   32.903(3)
_cell_length_c                   9.671(2)
_cell_volume                     2577.7(14)
_diffrn_ambient_temperature      296
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.095
_exptl_crystal_density_diffrn    1.259
_exptl_crystal_F_000             1040
_refine_ls_goodness_of_fit_ref   1.57
_refine_ls_number_parameters     444
_refine_ls_number_reflns         2042
_refine_ls_R_factor_gt           0.046
_refine_ls_wR_factor_gt          0.051
_refine_ls_wR_factor_ref         0.068
_cod_data_source_file            Acta-Chem-Scand-1991-45-508-1.cif
_cod_data_source_block           1
_cod_original_sg_symbol_H-M      'P 21/a'
_cod_database_code               1559490
Stereochemistry of 1-Arylpropane-1,2-diol 2-Aryl Ethers. X-Ray Structures of the Diastereomers of 1-(4-Acetoxy-3,5-dimethoxyphenyl)-2-{2,6-dimethoxy-4- [(E)-propenyl]phenoxy}propyl Acetate
Wallis, Adrian F. A.; Lundquist, Knut; Stomberg, Rolf; Acta Chemica Scandinavica 45 (1991) 508–516; doi:10.3891/acta.chem.scand.45-0508

data_1559491
_publ_section_title
;
 Stereochemistry of 1-Arylpropane-1,2-diol 2-Aryl Ethers. X-Ray Structures
 of the Diastereomers of
 1-(4-Acetoxy-3,5-dimethoxyphenyl)-2-{2,6-dimethoxy-4-
 [(E)-propenyl]phenoxy}propyl Acetate
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              508
_journal_page_last               516
_journal_paper_doi               10.3891/acta.chem.scand.45-0508
_journal_volume                  45
_journal_year                    1991
_chemical_formula_sum            'C26 H32 O9'
_chemical_formula_weight         488.53
_chemical_name_common
;
erythro-1-(4-Acetoxy-3,5-dimethoxyphenyl)-2-{2,6-dimethoxy-4-
[(E)-propenyl]phenoxy}propyl Acetate
;
_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_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.
_cell_angle_beta                 90.59(2)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   11.713(3)
_cell_length_b                   12.548(3)
_cell_length_c                   17.713(3)
_cell_volume                     2603.2(10)
_diffrn_ambient_temperature      296
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.094
_exptl_crystal_density_diffrn    1.246
_exptl_crystal_F_000             1040
_refine_ls_goodness_of_fit_ref   1.26
_refine_ls_number_parameters     444
_refine_ls_number_reflns         1753
_refine_ls_R_factor_gt           0.038
_refine_ls_wR_factor_gt          0.040
_refine_ls_wR_factor_ref         0.063
_cod_data_source_file            Acta-Chem-Scand-1991-45-508-2.cif
_cod_data_source_block           2
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               1559491
On the Phase Relations and Structural and Magnetic Properties of the Stable Manganese Carbides Mn23C6, Mn5C2 and Mn7C3
Karen, P.; Fjellvag, H.; Kjekshus, A.; Andresen, A. F.; Acta Chemica Scandinavica 45 (1991) 549–557; doi:10.3891/acta.chem.scand.45-0549

data_1559492
_publ_section_title
;
 On the Phase Relations and Structural and Magnetic Properties of the
 Stable Manganese Carbides Mn23C6, Mn5C2 and Mn7C3
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              549
_journal_page_last               557
_journal_paper_doi               10.3891/acta.chem.scand.45-0549
_journal_volume                  45
_journal_year                    1991
_chemical_formula_sum            'C3 Mn7'
_chemical_formula_weight         420.598
_chemical_name_common
;
Mn7C3
;
_space_group_IT_number           62
_space_group_name_Hall           '-P 2ac 2n'
_space_group_name_H-M_alt        'P n m a'
_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.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   4.5430(4)
_cell_length_b                   6.9544(7)
_cell_length_c                   11.973(1)
_cell_volume                     378.27(6)
_diffrn_ambient_temperature      298
_diffrn_radiation_probe          neutron
_diffrn_radiation_wavelength     1.877
_exptl_crystal_density_diffrn    7.386
_pd_proc_ls_prof_R_factor        0.10
_refine_ls_R_I_factor            0.10
_cod_data_source_file            Acta-Chem-Scand-1991-45-549-1.cif
_cod_data_source_block           1
_cod_depositor_comments
;
No thermal parameters, U values arbitrarily set to 0.02
No more details about the Rietveld refinements
;
_cod_database_code               1559492
On the Phase Relations and Structural and Magnetic Properties of the Stable Manganese Carbides Mn23C6, Mn5C2 and Mn7C3
Karen, P.; Fjellvag, H.; Kjekshus, A.; Andresen, A. F.; Acta Chemica Scandinavica 45 (1991) 549–557; doi:10.3891/acta.chem.scand.45-0549

data_1559493
_publ_section_title
;
 On the Phase Relations and Structural and Magnetic Properties of the
 Stable Manganese Carbides Mn23C6, Mn5C2 and Mn7C3
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              549
_journal_page_last               557
_journal_paper_doi               10.3891/acta.chem.scand.45-0549
_journal_volume                  45
_journal_year                    1991
_chemical_formula_sum            'C2 Mn5'
_chemical_formula_weight         298.711
_chemical_name_common
;
Mn5C2
;
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.
_cell_angle_beta                 97.719(3)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   11.6724(6)
_cell_length_b                   4.5864(2)
_cell_length_c                   5.0969(2)
_cell_volume                     270.39(2)
_diffrn_ambient_temperature      298
_diffrn_radiation_probe          neutron
_diffrn_radiation_wavelength     1.877
_exptl_crystal_density_diffrn    7.338
_pd_proc_ls_prof_R_factor        0.090
_refine_ls_R_I_factor            0.090
_cod_data_source_file            Acta-Chem-Scand-1991-45-549-2.cif
_cod_data_source_block           1
_cod_depositor_comments
;
No thermal parameters, U values arbitrarily set to 0.02
No more details about the Rietveld refinements
;
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               1559493