LMucko/crystallography-open-database huggingface dataset:
Die Kristallstruktur von Mn2 O7
Simon, A.; Dronskowski, R.; Krebs, B.; Hettich, B.; Angewandte Chemie (German Edition) 99 (1987) 160–161; doi:

data_1514112
_publ_section_title
;
 Die Kristallstruktur von Mn2 O7
;
_journal_coden_ASTM              ANCEAD
_journal_name_full               'Angewandte Chemie (German Edition)'
_journal_page_first              160
_journal_page_last               161
_journal_volume                  99
_journal_year                    1987
_chemical_formula_structural     'Mn2 O7'
_chemical_formula_sum            'Mn2 O7'
_chemical_name_systematic        'Dimanganese(VII) Oxide'
_space_group_IT_number           14
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_audit_creation_date             1988/02/22
_audit_update_record             2005/10/01
_cell_angle_alpha                90.
_cell_angle_beta                 100.20(1)
_cell_angle_gamma                90.
_cell_formula_units_Z            8
_cell_length_a                   6.7956(4)
_cell_length_b                   16.6868(16)
_cell_length_c                   9.4539(29)
_cell_volume                     1055.1(3)
_refine_ls_R_factor_all          0.038
_cod_data_source_file            'data_Mn2O7melanie060821.cif'
_cod_data_source_block
/var/www/cod/tmp/uploads/1396024810.94-D290F29E9218B844.cif
_cod_original_cell_volume        1055.1
_cod_database_code               1514112
Neutronographische Bestimmung der Kristallstrukturparameter von Dy2 O3, Tm2 O3 und alpha-Mn2 O3
Hase, W.; Physica Status Solidi 3 (1963) 446–449; doi:

data_1514113
_publ_section_title
;
 Neutronographische Bestimmung der Kristallstrukturparameter von Dy2 O3,
 Tm2 O3 und alpha-Mn2 O3
;
_journal_coden_ASTM              PHSSAK
_journal_name_full               'Physica Status Solidi'
_journal_page_first              446
_journal_page_last               449
_journal_volume                  3
_journal_year                    1963
_chemical_formula_structural     'Mn2 O3'
_chemical_formula_sum            'Mn2 O3'
_chemical_name_mineral           'Bixbyite C'
_chemical_name_systematic        'Manganese(III) Oxide - Alpha'
_space_group_IT_number           206
_symmetry_Int_Tables_number      206
_symmetry_space_group_name_Hall  '-I 2b 2c 3'
_symmetry_space_group_name_H-M   'I a -3'
_audit_creation_date             1987/03/16
_audit_update_record             2006/04/01
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            16
_cell_length_a                   9.43
_cell_length_b                   9.43
_cell_length_c                   9.43
_cell_volume                     838.562
_refine_ls_R_factor_all          0.03
_cod_data_source_file            'data_Mn2O3melanie061271.cif'
_cod_data_source_block
/var/www/cod/tmp/uploads/1396024869.26-D290F29E9218B844.cif
_cod_original_cell_volume        838.56
_cod_database_code               1514113
Solid solubility and lattice parameter of Ni O - Mn O
Barrett, C. A.; Evans, E. B.; Journal of the American Ceramic Society 47 (1964) 533–533; doi:10.1111/j.1151-2916.1964.tb13806.x

data_1514114
_publ_section_title
;
 Solid solubility and lattice parameter of Ni O - Mn O
;
_journal_coden_ASTM              JACTAW
_journal_name_full               'Journal of the American Ceramic Society'
_journal_page_first              533
_journal_page_last               533
_journal_paper_doi               10.1111/j.1151-2916.1964.tb13806.x
_journal_volume                  47
_journal_year                    1964
_chemical_formula_structural     'Mn O'
_chemical_formula_sum            'Mn O'
_chemical_name_systematic        'Manganese Oxide'
_space_group_IT_number           225
_symmetry_Int_Tables_number      225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_audit_creation_date             1987/03/16
_audit_update_record             2006/04/01
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   4.442
_cell_length_b                   4.442
_cell_length_c                   4.442
_cell_volume                     87.647
_cod_data_source_file            'data_MnOmelanie061319.cif'
_cod_data_source_block
/var/www/cod/tmp/uploads/1396024928.31-D290F29E9218B844.cif
_cod_original_cell_volume        87.65
_cod_original_formula_sum        'Mn1 O1'
_cod_database_code               1514114
Crystal structure refinement and reflectance measurements of hausmannite, Mn3 O4
Jarosch, D.; Mineralogy and Petrology 37 (1987) 15–23; doi:10.1007/BF01163155

data_1514115
_publ_section_title
;
 Crystal structure refinement and reflectance measurements of hausmannite,
 Mn3 O4
;
_journal_coden_ASTM              MIPEE9
_journal_name_full               'Mineralogy and Petrology'
_journal_page_first              15
_journal_page_last               23
_journal_paper_doi               10.1007/BF01163155
_journal_volume                  37
_journal_year                    1987
_chemical_formula_structural     'Mn3 O4'
_chemical_formula_sum            'Mn3 O4'
_chemical_name_mineral           Hausmannite
_chemical_name_systematic        'Dimanganese(III) Manganese Oxide'
_space_group_IT_number           141
_symmetry_Int_Tables_number      141
_symmetry_space_group_name_Hall  '-I 4bd 2'
_symmetry_space_group_name_H-M   'I 41/a m d :2'
_audit_creation_date             1991/07/10
_audit_update_record             2005/10/01
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   5.765(1)
_cell_length_b                   5.765(1)
_cell_length_c                   9.442(2)
_cell_volume                     313.81(10)
_refine_ls_R_factor_all          0.036
_cod_data_source_file            'data_Mn3O4melanie068174.cif'
_cod_data_source_block
/var/www/cod/tmp/uploads/1396024982.27-D290F29E9218B844.cif
_cod_original_cell_volume        313.81
_cod_original_sg_symbol_H-M      'I 41/a m d Z'
_cod_database_code               1514115
Alpha manganese dioxide for lithium batteries: a structural and electrochemical study
Rossouw, M. H.; Liles, D. C.; Thackeray, M. M.; David, W. I. F.; Hull, S.; Materials Research Bulletin 27 (1992) 221–230; doi:10.1016/0025-5408(92)90216-M

data_1514116
_publ_section_title
;
 Alpha manganese dioxide for lithium batteries: a structural and
 electrochemical study
;
_journal_coden_ASTM              MRBUAC
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              221
_journal_page_last               230
_journal_paper_doi               10.1016/0025-5408(92)90216-M
_journal_volume                  27
_journal_year                    1992
_chemical_formula_structural     'Mn.98 O2'
_chemical_formula_sum            'Mn0.98 O2'
_chemical_name_systematic        'Manganese Oxide (1/2) - Alpha'
_space_group_IT_number           87
_symmetry_Int_Tables_number      87
_symmetry_space_group_name_Hall  '-I 4'
_symmetry_space_group_name_H-M   'I 4/m'
_audit_creation_date             1994/06/30
_audit_update_record             2012/08/01
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            8
_cell_length_a                   9.7876(3)
_cell_length_b                   9.7876(3)
_cell_length_c                   2.8650(1)
_cell_volume                     274.459(15)
_refine_ls_R_factor_all          0.018
_cod_data_source_file            'data_MnO2melanie073363.cif'
_cod_data_source_block
/var/www/cod/tmp/uploads/1396025084.52-D290F29E9218B844.cif
_cod_original_cell_volume        274.46
_cod_database_code               1514116
Powder neutron diffraction study of pyrolusite, beta-Mn O2
Bolzan, A. A.; Fong, C.; Kennedy, B. J.; Howard, C. J.; Australian Journal of Chemistry 46 (1993) 939–944; doi:10.1071/CH9930939

data_1514117
_publ_section_title
;
 Powder neutron diffraction study of pyrolusite, beta-Mn O2
;
_journal_coden_ASTM              AJCHAS
_journal_name_full               'Australian Journal of Chemistry'
_journal_page_first              939
_journal_page_last               944
_journal_paper_doi               10.1071/CH9930939
_journal_volume                  46
_journal_year                    1993
_chemical_formula_structural     'Mn O2'
_chemical_formula_sum            'Mn O2'
_chemical_name_mineral           Pyrolusite
_chemical_name_systematic        'Manganese(IV) Oxide - Beta'
_space_group_IT_number           136
_symmetry_Int_Tables_number      136
_symmetry_space_group_name_Hall  '-P 4n 2n'
_symmetry_space_group_name_H-M   'P 42/m n m'
_audit_creation_date             1995/01/10
_audit_update_record             2005/10/01
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            2
_cell_length_a                   4.4041(1)
_cell_length_b                   4.4041(1)
_cell_length_c                   2.8765(1)
_cell_volume                     55.793(3)
_refine_ls_R_factor_all          0.017
_cod_data_source_file            'data_MnO2melanie073716.cif'
_cod_data_source_block
/var/www/cod/tmp/uploads/1396025150.02-D290F29E9218B844.cif
_cod_original_cell_volume        55.79
_cod_original_formula_sum        'Mn1 O2'
_cod_database_code               1514117
Thermal expansion of some inclusions found in steels and relation to tessellated stresses
Brooksbank, D.; Andrews, K. W.; Journal of the Iron and Steel Institute (London) 206 (1968) 593–599; doi:

data_1514118
_publ_section_title
;
 Thermal expansion of some inclusions found in steels and relation to
 tessellated stresses
;
_journal_coden_ASTM              JISIAX
_journal_name_full
;
 Journal of the Iron and Steel Institute (London)
;
_journal_page_first              593
_journal_page_last               599
_journal_volume                  206
_journal_year                    1968
_chemical_formula_structural     'Mn O'
_chemical_formula_sum            'Mn O'
_chemical_name_mineral           Manganosite
_chemical_name_systematic        'Manganese Oxide'
_space_group_IT_number           225
_symmetry_Int_Tables_number      225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_audit_creation_date             2000/12/16
_audit_update_record             2012/08/01
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   4.443
_cell_length_b                   4.443
_cell_length_c                   4.443
_cell_volume                     87.706
_cod_data_source_file            'data_MnOmelanie076086.cif'
_cod_data_source_block
/var/www/cod/tmp/uploads/1396025217.22-D290F29E9218B844.cif
_cod_original_cell_volume        87.71
_cod_original_formula_sum        'Mn1 O1'
_cod_database_code               1514118
The crystal structure of Mn2 O3
Morozov, I. S.; Kuznetsov, V. G.; Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya 1949 (1949) 343–353; doi:

data_1514119
_publ_section_title
;
 The crystal structure of Mn2 O3
;
_journal_coden_ASTM              IASKA6
_journal_name_full
;
 Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya
;
_journal_page_first              343
_journal_page_last               353
_journal_volume                  1949
_journal_year                    1949
_chemical_formula_structural     'Mn2 O3'
_chemical_formula_sum            'Mn2 O3'
_chemical_name_mineral           Bixbyite
_chemical_name_systematic        'Manganese(III) Oxide'
_space_group_IT_number           206
_symmetry_Int_Tables_number      206
_symmetry_space_group_name_Hall  '-I 2b 2c 3'
_symmetry_space_group_name_H-M   'I a -3'
_audit_creation_date             2000/12/16
_audit_update_record             2006/10/01
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            16
_cell_length_a                   9.408
_cell_length_b                   9.408
_cell_length_c                   9.408
_cell_volume                     832.706
_cod_data_source_file            'data_Mn2O3melanie076087.cif'
_cod_data_source_block
/var/www/cod/tmp/uploads/1396025284.65-D290F29E9218B844.cif
_cod_original_cell_volume        832.71
_cod_database_code               1514119
Proprietes et structure magnetique de Mn3 O4
Boucher, B.; Buhl, R.; Perrin, M.; Journal of Physics and Chemistry of Solids 32 (1971) 2429–2437; doi:10.1016/S0022-3697(71)80239-1

data_1514120
_publ_section_title
;
 Proprietes et structure magnetique de Mn3 O4
;
_journal_coden_ASTM              JPCSAW
_journal_name_full               'Journal of Physics and Chemistry of Solids'
_journal_page_first              2429
_journal_page_last               2437
_journal_paper_doi               10.1016/S0022-3697(71)80239-1
_journal_volume                  32
_journal_year                    1971
_chemical_formula_structural     'Mn3 O4'
_chemical_formula_sum            'Mn3 O4'
_chemical_name_mineral           Hausmannite
_chemical_name_systematic        'Manganese Dimanganese(III) Oxide'
_space_group_IT_number           141
_symmetry_Int_Tables_number      141
_symmetry_space_group_name_Hall  'I 4bw 2bw -1bw'
_symmetry_space_group_name_H-M   'I 41/a m d :1'
_audit_creation_date             2000/12/16
_audit_update_record             2007/08/01
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   5.763
_cell_length_b                   5.763
_cell_length_c                   9.456
_cell_volume                     314.054
_refine_ls_R_factor_all          0.05
_cod_data_source_file            'data_Mn3O4melanie076088.cif'
_cod_data_source_block
/var/www/cod/tmp/uploads/1396025466.1-D290F29E9218B844.cif
_cod_original_cell_volume        314.05
_cod_original_sg_symbol_H-M      'I 41/a m d S'
_cod_database_code               1514120
The influence of iron substitution on the magnetic properties of hausmannite, Mn(2+) (Mn, Fe)2(3+) O4
Baron, V.; Gutzmer, J.; Rundloef, H.; Tellgren, R.; American Mineralogist 83 (1998) 786–793; doi:

data_1514121
_publ_section_title
;
 The influence of iron substitution on the magnetic properties of
 hausmannite, Mn(2+) (Mn, Fe)2(3+) O4
;
_journal_coden_ASTM              AMMIAY
_journal_name_full               'American Mineralogist'
_journal_page_first              786
_journal_page_last               793
_journal_volume                  83
_journal_year                    1998
_chemical_formula_structural     'Mn3 O4'
_chemical_formula_sum            'Mn3 O4'
_chemical_name_mineral           Hausmannite
_chemical_name_systematic        'Dimanganese(III) Manganese Oxide'
_space_group_IT_number           141
_symmetry_Int_Tables_number      141
_symmetry_space_group_name_Hall  'I 4bw 2bw -1bw'
_symmetry_space_group_name_H-M   'I 41/a m d :1'
_audit_creation_date             2003/04/01
_audit_update_record             2005/10/01
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   5.7574(4)
_cell_length_b                   5.7574
_cell_length_c                   9.4239(9)
_cell_volume                     312.38(4)
_refine_ls_R_factor_all          0.053
_cod_data_source_file            'data_Mn3O4melanie077478.cif'
_cod_data_source_block
/var/www/cod/tmp/uploads/1396025695.35-D290F29E9218B844.cif
_cod_original_cell_volume        312.38
_cod_original_sg_symbol_H-M      'I 41/a m d S'
_cod_database_code               1514121
Neutron Diffraction and Electrochemical Study of FeNb11O29/Li11FeNb11O29for Lithium Battery Anode Applications
Pinus, Ilya; Catti, Michele; Ruffo, Riccardo; Salamone, Matteo M.; Mari, Claudio M.; Chemistry of Materials 26 (2014) 2203–; doi:10.1021/cm500442j

data_4001906
_publ_section_title
;
 Neutron Diffraction and Electrochemical Study of
 FeNb11O29/Li11FeNb11O29for Lithium Battery Anode Applications
;
_journal_issue                   6
_journal_name_full               'Chemistry of Materials'
_journal_page_first              2203
_journal_paper_doi               10.1021/cm500442j
_journal_volume                  26
_journal_year                    2014
_chemical_formula_sum            'Fe Nb11 O29'
_chemical_formula_weight         1541.78
_chemical_name_systematic        ' ?'
_space_group_IT_number           63
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-A 2a 2a'
_symmetry_space_group_name_H-M   'A m m a'
_audit_creation_date             2013-09-09T18:54
_audit_creation_method           'from EXP file using GSAS2CIF'
_audit_update_record
' 2013-09-09T18:54  Initial CIF as created by GSAS2CIF'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   28.7093(6)
_cell_length_b                   3.82563(7)
_cell_length_c                   20.6241(4)
_cell_volume                     2265.17(8)
_computing_structure_refinement  GSAS
_pd_block_id                     2013-09-09T18:54|NEW_phase1|1||
_pd_phase_name                   'from C:/Pinus/neutrons/686-FeNb11O29/12.cif'
_refine_ls_goodness_of_fit_all   1.44
_refine_ls_matrix_type           full
_refine_ls_number_parameters     60
_refine_ls_number_restraints     0
_refine_ls_shift/su_max          0.05
_refine_ls_shift/su_mean         0.01
_cod_data_source_file            cm500442j_si_001.cif
_cod_data_source_block           FeNb11O29
_cod_original_cell_volume        2265.16(5)
_cod_original_formula_sum        'Fe1.00 Nb11.00 O29'
_cod_database_code               4001906
Structural refinements of dolomite and a magnesian calcite and implications for dolomite formation in the marine environment
Althoff, P.L.; Journal of Materials Chemistry 62 (1977) 772–783; doi:

data_7214218
_publ_section_title
;
 Structural refinements of dolomite and a magnesian calcite and
 implications for dolomite formation in the marine environment
;
_journal_name_full
;
Journal of Materials Chemistry
;
_journal_page_first              772
_journal_page_last               783
_journal_volume                  62
_journal_year                    1977
_chemical_formula_structural     'Mg0.1 Ca0.9 C O3'
_chemical_formula_sum            'C Ca0.9 Mg0.1 O3'
_chemical_name_mineral           'Calcite, magnesian'
_chemical_name_systematic
;
Magnesium Calcium Carbonate (.1/.9/1)
;
_space_group_IT_number           167
_symmetry_Int_Tables_number      167
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                120.
_cell_formula_units_Z            6
_cell_length_a                   4.941(2)
_cell_length_b                   4.941(2)
_cell_length_c                   16.8540(20)
_cell_volume                     356.3(2)
_refine_ls_R_factor_all          0.025
_cod_data_source_file            dangdan2.cif
_cod_data_source_block           dangdan2
_cod_original_cell_volume        356.34
_cod_original_sg_symbol_H-M      'R -3 c H'
_cod_original_formula_sum        'C1 Ca0.9 Mg0.1 O3'
_cod_database_code               7214218
The crystal structure of huntite, Mg3 Ca (C O3)4
Graf, D.L.; Bradley, W.F.; Acta Crystallographica 15 (1962) 238–242; doi:10.1107/S0365110X62000584

data_2310128
_publ_section_title
;
 The crystal structure of huntite, Mg3 Ca (C O3)4
;
_journal_name_full
;
Acta Crystallographica
;
_journal_page_first              238
_journal_page_last               242
_journal_paper_doi               10.1107/S0365110X62000584
_journal_volume                  15
_journal_year                    1962
_chemical_formula_structural     'Mg3 Ca (C O3)4'
_chemical_formula_sum            'C4 Ca Mg3 O12'
_chemical_name_mineral           Huntite
_chemical_name_systematic        'Trimagnesium Calcium Carbonate'
_space_group_IT_number           155
_symmetry_Int_Tables_number      155
_symmetry_space_group_name_Hall  'P 3* 2'
_symmetry_space_group_name_H-M   'R 3 2 :R'
_cell_angle_alpha                102.93
_cell_angle_beta                 102.93
_cell_angle_gamma                102.93
_cell_formula_units_Z            1
_cell_length_a                   6.075
_cell_length_b                   6.075
_cell_length_c                   6.075
_cell_volume                     203.936
_refine_ls_R_factor_all          0.11
_cod_data_source_file            dangdan3_Huntite.cif
_cod_data_source_block           dangdan3
_cod_original_cell_volume        203.94
_cod_original_sg_symbol_H-M      'R 3 2 R'
_cod_original_formula_sum        'C4 Ca1 Mg3 O12'
_cod_database_code               2310128
Flexible Structure of a Thermally Stable Hybrid Aluminosilicate Built with Only the Three-Ring Unit
Bellettato, Michela; Bonoldi, Lucia; Cruciani, Giuseppe; Flego, Cristina; Guidetti, Stefania; Millini, Roberto; Montanari, Erica; Parker, Wallace O’Neil; Zanardi, Stefano; The Journal of Physical Chemistry C 118 (2014) 7458–; doi:10.1021/jp5005133

data_1514183
_publ_section_title
;
 Flexible Structure of a Thermally Stable Hybrid Aluminosilicate Built
 with Only the Three-Ring Unit
;
_journal_issue                   14
_journal_name_full               'The Journal of Physical Chemistry C'
_journal_page_first              7458
_journal_paper_doi               10.1021/jp5005133
_journal_volume                  118
_journal_year                    2014
_chemical_formula_sum            'C6 Al K O5 Si2'
_chemical_formula_weight         274.314
_space_group_IT_number           14
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_audit_creation_date             2013-10-02
_audit_creation_method           'from EXP file using GSAS2CIF'
_audit_update_record             2013-10-02
_cell_angle_alpha                90.000
_cell_angle_beta                 106.526(9)
_cell_angle_gamma                90.000
_cell_formula_units_Z            4
_cell_length_a                   10.1307(9)
_cell_length_b                   9.1486(10)
_cell_length_c                   10.6002(11)
_cell_volume                     941.86(17)
_cod_data_source_file            jp5005133_si_004.cif
_cod_data_source_block           ECS-17_120&#x00B0;C_un
_cod_depositor_comments
;Adding full bibliography for
 ./tmp-cod-update-bibliographies-10461/cifs/1514183.cif.
;
_cod_original_cell_volume        941.9(2)
_cod_original_sg_symbol_Hall     -P_2yab
_cod_original_formula_sum        'Al Si2 O5 C6 K'
_cod_database_code               1514183