LMucko/crystallography-open-database huggingface dataset:
The Crystal Structure of 3T Muscovite
Güven, N.; Burnham, C. W.; Zeitschrift für Kristallographie 125 (1967) 163–183; doi:10.1524/zkri.1967.125.125.163

data_1100015
_publ_section_title              'The Crystal Structure of 3T Muscovite'
_journal_name_full               'Zeitschrift f\"ur Kristallographie'
_journal_page_first              163
_journal_page_last               183
_journal_paper_doi               10.1524/zkri.1967.125.125.163
_journal_volume                  125
_journal_year                    1967
_chemical_compound_source
;
In granodiorite near Sunrise Copper Prospect, Sultan Basin, Snohomish County, 
Washington, USA
;
_chemical_formula_analytical
;
(K.90 Na.06 Ca.01 Ba.01) (Al1.83 Fe.08 Mg.09 Ti.01) (Si3.11 Al.89) O10
((O H)1.98 F.03)
;
_chemical_formula_structural     'K (Al1.91 Fe.09) (Si3 Al) O10 (O H)2'
_chemical_formula_sum            'Al2.91 Fe0.09 H2 K O12 Si3'
_chemical_name_mineral           'Muscovite 3T'
_chemical_name_systematic        'Potassium aluminium silicate hydroxide *'
_space_group_IT_number           151
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  'P 31 2 (0 0 4)'
_symmetry_space_group_name_H-M   'P 31 1 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   5.1963(4)
_cell_length_b                   5.1963(4)
_cell_length_c                   29.97049(160)
_cell_volume                     700.8
_exptl_crystal_density_meas      2.82
_refine_ls_R_factor_all          0.024
_cod_original_formula_sum        'H2 Al2.91 Fe.09 K O12 Si3'
_cod_database_code               1100015
Cation site ordering in phengite 3T from the Dora-Maira massif (western Alps): a variable-temperature neutron powder diffraction study
Pavese, A; Ferraris, G; Prencipe, M; Ibberson, R; European Journal of Mineralogy (1,1989-) 9 (1997) 1183–1190; doi:

data_1100016
_publ_section_title
;
Cation site ordering in phengite 3T from the Dora-Maira massif (western
Alps): a variable-temperature neutron powder diffraction study
;
_journal_name_full               'European Journal of Mineralogy (1,1989-)'
_journal_page_first              1183
_journal_page_last               1190
_journal_volume                  9
_journal_year                    1997
_chemical_formula_sum            'Al1.788 H2 K Mg0.64 O12 Si3.572'
_chemical_name_mineral           'Phengite 3T'
_chemical_name_systematic
;
Potassium magnesium aluminium silicon oxide hydroxide *
;
_space_group_IT_number           151
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      151
_symmetry_space_group_name_Hall  'P 31 2 (0 0 4)'
_symmetry_space_group_name_H-M   'P 31 1 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   5.21379(2)
_cell_length_b                   5.21379(2)
_cell_length_c                   29.73819(20)
_cell_volume                     700.1
_refine_ls_R_factor_all          0.06
_cod_original_formula_sum        'H2 Al1.788 K Mg.64 O12 Si3.572'
_cod_database_code               1100016
Cation site ordering in phengite 3T from the Dora-Maira massif (western Alps): a variable-temperature neutron powder diffraction study
Pavese, A; Ferraris, G; Prencipe, M; Ibberson, R; European Journal of Mineralogy (1,1989-) 9 (1997) 1183–1190; doi:

data_1100017
_publ_section_title
;
Cation site ordering in phengite 3T from the Dora-Maira massif (western
Alps): a variable-temperature neutron powder diffraction study
;
_journal_name_full               'European Journal of Mineralogy (1,1989-)'
_journal_page_first              1183
_journal_page_last               1190
_journal_volume                  9
_journal_year                    1997
_chemical_formula_sum            'Al1.848 H2 K Mg0.58 O12 Si3.572'
_chemical_name_mineral           'Phengite 3T'
_chemical_name_systematic
;
Potassium magnesium aluminium silicon oxide hydroxide *
;
_space_group_IT_number           151
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      151
_symmetry_space_group_name_Hall  'P 31 2 (0 0 4)'
_symmetry_space_group_name_H-M   'P 31 1 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   5.23169(2)
_cell_length_b                   5.23169(2)
_cell_length_c                   30.1227(2)
_cell_volume                     714.0
_refine_ls_R_factor_all          0.05
_cod_original_formula_sum        'H2 Al1.848 K Mg.58 O12 Si3.572'
_cod_database_code               1100017
Benna, P; Chiari, G; Bruno, E; Mineralogy and Petrology 36 (1987) 71–84; doi:10.1007/BF01164370

data_1100018
_journal_name_full               'Mineralogy and Petrology'
_journal_page_first              71
_journal_page_last               84
_journal_paper_doi               10.1007/BF01164370
_journal_volume                  36
_journal_year                    1987
_chemical_formula_sum            'Ca0.8 Mg O6 Si2 Sr0.2'
_chemical_name_mineral           'Diopside strontian'
_chemical_name_systematic
;
Calcium strontium magnesium catena-disilicate (.8/.2/1/1)
;
_space_group_IT_number           15
_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                 105.67(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.758(3)
_cell_length_b                   8.973(3)
_cell_length_c                   5.253(1)
_cell_volume                     442.9
_cod_database_code               1100018
Wright, A F; Lehmann, M S; Journal of Solid State Chemistry 36 (1981) 371–380; doi:10.1016/0022-4596(81)90449-7

data_1100019
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              371
_journal_page_last               380
_journal_paper_doi               10.1016/0022-4596(81)90449-7
_journal_volume                  36
_journal_year                    1981
_chemical_formula_sum            'O2 Si'
_chemical_name_mineral           'Quartz high'
_chemical_name_systematic        'Silicon oxide'
_space_group_IT_number           180
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_number      180
_symmetry_space_group_name_Hall  'P 62 2 (0 0 4)'
_symmetry_space_group_name_H-M   'P 62 2 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   4.9977
_cell_length_b                   4.9977
_cell_length_c                   5.4601
_cell_volume                     118.1
_cod_database_code               1100019
The structure of the red modification of tin(II)oxide
Donaldson, J D; Moser, W; Simpson, W B; Acta Crystallographica (1,1948-23,1967) 16 (1963) A22–A22; doi:

data_1100020
_publ_section_title
;
The structure of the red modification of tin(II)oxide
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              A22
_journal_page_last               A22
_journal_volume                  16
_journal_year                    1963
_chemical_formula_structural     'Sn O'
_chemical_formula_sum            'O Sn'
_chemical_name_systematic        'Tin (II) oxide - red modification'
_space_group_IT_number           36
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      36
_symmetry_space_group_name_Hall  'C 2c -2'
_symmetry_space_group_name_H-M   'C m c 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   5.
_cell_length_b                   5.72
_cell_length_c                   11.12
_cell_volume                     318.0
_cod_database_code               1100020
Pattern-fitting structure refinement of tin(II) oxide
Izumi, F; Journal of Solid State Chemistry 38 (1981) 381–385; doi:10.1016/0022-4596(81)90068-2

data_1100021
_publ_section_title
;
 Pattern-fitting structure refinement of tin(II) oxide
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              381
_journal_page_last               385
_journal_paper_doi               10.1016/0022-4596(81)90068-2
_journal_volume                  38
_journal_year                    1981
_chemical_compound_source        Synthetic
_chemical_formula_sum            'O Sn'
_chemical_name_mineral           Romarchite
_chemical_name_systematic        'Tin oxide'
_space_group_IT_number           129
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'P 4ab 2ab -1ab'
_symmetry_space_group_name_H-M   'P 4/n m m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.7986(1)
_cell_length_b                   3.7986(1)
_cell_length_c                   4.8408(2)
_cell_volume                     69.8
_database_code_amcsd             0013417
_exptl_crystal_density_diffrn    6.405
_exptl_crystal_density_meas      6.4
_refine_ls_R_factor_all          0.177
_cod_original_sg_symbol_H-M      'P 4/n m m S'
_cod_database_code               1100021
The crystal structure of α'-modification of dicalcium silicate Ca(Ca, Sr)SiO~4~
Il'inets, A. M.; Nevskii, N. N.; Ilyukhin, V. V.; Bikbau, M. Y.; Belov, N. V.; Doklady Akademii Nauk SSSR 267 (1982) 641–644; doi:

data_1100022
_publ_section_title
;
 The crystal structure of \a'-modification of dicalcium silicate
 Ca(Ca, Sr)SiO~4~
;
_journal_coden_ASTM              DANKAS
_journal_name_full               'Doklady Akademii Nauk SSSR'
_journal_page_first              641
_journal_page_last               644
_journal_volume                  267
_journal_year                    1982
_chemical_formula_structural     'CA SR SI O4'
_chemical_formula_sum            'Ca O4 Si Sr'
_chemical_name_systematic        'CALCIUM STRONTIUM SILICATE'
_space_group_IT_number           33
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      33
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            12
_cell_length_a                   20.871(2)
_cell_length_b                   9.496(1)
_cell_length_c                   5.600(1)
_cell_volume                     1109.9
_database_code_amcsd             0018223
_refine_ls_R_factor_all          0.07
_cod_database_code               1100022
Order-disorder in the α'-(Ca,Sr)~2~SiO~4~ solid solution: a structural and statistical-thermodynamic analysis
Catti, M.; Gazzoni, G.; Ivaldi, G.; Acta Crystallographica, Section B: Structural Science 40 (1984) 537–544; doi:10.1107/s0108768184002652

data_1100023
_publ_section_title
;
 Order-disorder in the \a'-(Ca,Sr)~2~SiO~4~ solid solution: a structural and
 statistical-thermodynamic analysis
;
_journal_issue                   6
_journal_name_full
;
 Acta Crystallographica, Section B: Structural Science
;
_journal_page_first              537
_journal_page_last               544
_journal_paper_doi               10.1107/s0108768184002652
_journal_volume                  40
_journal_year                    1984
_chemical_formula_structural     'Ca1.5 Sr.5 Si O4'
_chemical_formula_sum            'Ca1.5 O4 Si Sr0.5'
_chemical_name_systematic        'Calcium strontium silicate (1.5/.5/1)'
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      62
_symmetry_space_group_name_Hall  '-P 2bc 2a'
_symmetry_space_group_name_H-M   'P m n b'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.647(1)
_cell_length_b                   7.037(1)
_cell_length_c                   9.644(2)
_cell_volume                     383.2
_refine_ls_R_factor_all          0.049
_cod_original_formula_sum        'Ca1.5 O4 Si Sr.5'
_cod_database_code               1100023
Order-disorder in the α'-(Ca,Sr)~2~SiO~4~ solid solution: a structural and statistical-thermodynamic analysis
Catti, M.; Gazzoni, G.; Ivaldi, G.; Acta Crystallographica, Section B: Structural Science 40 (1984) 537–544; doi:10.1107/s0108768184002652

data_1100024
_publ_section_title
;
 Order-disorder in the \a'-(Ca,Sr)~2~SiO~4~ solid solution: a structural and
 statistical-thermodynamic analysis
;
_journal_issue                   6
_journal_name_full
;
 Acta Crystallographica, Section B: Structural Science
;
_journal_page_first              537
_journal_page_last               544
_journal_paper_doi               10.1107/s0108768184002652
_journal_volume                  40
_journal_year                    1984
_chemical_formula_structural     'Ca1.8 Sr.2 Si O4'
_chemical_formula_sum            'Ca1.8 O4 Si Sr0.2'
_chemical_name_systematic        'Calcium strontium silicate (1.8/.2/1)'
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      62
_symmetry_space_group_name_Hall  '-P 2bc 2a'
_symmetry_space_group_name_H-M   'P m n b'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.647(1)
_cell_length_b                   7.037(1)
_cell_length_c                   9.644(2)
_cell_volume                     383.2
_refine_ls_R_factor_all          0.03
_cod_original_formula_sum        'Ca1.8 O4 Si Sr.2'
_cod_database_code               1100024
The Crystal Structure of Carbocernaite
Shi, N.; Ma, Z.; Peng, Z.; Chinese Science Bulletin 27 (1982) 76–80; doi:

data_1100025
_publ_section_title
;
 The Crystal Structure of Carbocernaite
;
_journal_issue                   1
_journal_name_full               'Chinese Science Bulletin'
_journal_page_first              76
_journal_page_last               80
_journal_volume                  27
_journal_year                    1982
_chemical_formula_sum            'C2 Ca O6 Sr'
_chemical_name_mineral           Carbocernaite
_chemical_name_systematic        'Strontium calcium carbonate'
_space_group_IT_number           26
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      26
_symmetry_space_group_name_Hall  'P 2c -2'
_symmetry_space_group_name_H-M   'P m c 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.214(3)
_cell_length_b                   6.430(3)
_cell_length_c                   7.301(12)
_cell_volume                     244.8
_exptl_crystal_density_meas      3.53
_cod_database_code               1100025
The Structure of Strontium and Barium Peroxides, Sr O~2~ and Ba O~2~
Bernal, J D; Djatlowa, E; Kasarnowsky, I; Reichstein, S; Ward, A G; Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 92 (1935) 344–354; doi:

data_1100026
_publ_section_title
;
The Structure of Strontium and Barium Peroxides, Sr O~2~ and Ba O~2~
;
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_page_first              344
_journal_page_last               354
_journal_volume                  92
_journal_year                    1935
_chemical_formula_structural     'Sr O2'
_chemical_formula_sum            'O2 Sr'
_chemical_name_systematic        'Strontium peroxide'
_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                   3.55
_cell_length_b                   3.55
_cell_length_c                   6.55
_cell_volume                     82.5
_exptl_crystal_density_meas      4.45
_cod_duplicate_entry             1010114
_cod_database_code               1100026
X-Ray Diffraction Studies of Systems Involved in the Preparation of Alkaline Earth Sulfide and Selenide Phosphors
Primak, W; Kaufman, H; Ward, R; Journal of the American Chemical Society 70 (1948) 2043–2046; doi:10.1021/ja01186a018

data_1100027
_publ_section_title
;
X-Ray Diffraction Studies of Systems Involved in the Preparation of
Alkaline Earth Sulfide and Selenide Phosphors
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              2043
_journal_page_last               2046
_journal_paper_doi               10.1021/ja01186a018
_journal_volume                  70
_journal_year                    1948
_chemical_formula_structural     'Sr O'
_chemical_formula_sum            'O Sr'
_chemical_name_systematic        'Strontium oxide'
_space_group_IT_number           225
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.1396
_cell_length_b                   5.1396
_cell_length_c                   5.1396
_cell_volume                     135.8
_cod_database_code               1100027
Geometrical and Optical Properties, and Crystal Structure of Tenorite
Tunell, G.; Posnjak, E.; Ksanda, C. J.; Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie 90 (1935) 120–142; doi:10.1524/zkri.1935.90.1.120

data_1100028
_publ_section_title
;
 Geometrical and Optical Properties, and Crystal Structure of Tenorite
;
_journal_coden_ASTM              ZKKKAJ
_journal_issue                   1-6
_journal_name_full
;
 Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
 Kristallchemie
;
_journal_page_first              120
_journal_page_last               142
_journal_paper_doi               10.1524/zkri.1935.90.1.120
_journal_volume                  90
_journal_year                    1935
_chemical_formula_sum            'Cu O'
_chemical_name_mineral           Tenorite
_chemical_name_systematic        'copper(II) oxide'
_space_group_IT_number           15
_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                 99.48(33)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.653(10)
_cell_length_b                   3.41(1)
_cell_length_c                   5.108(10)
_cell_volume                     79.9
_exptl_crystal_density_meas      6.45
_cod_database_code               1100028
_cod_duplicate_entry 1011148
Etude et structure d'une nouvelle phase du sous-nitrure de titane Ti~2~ N
Lobier, G; Marcon, J P; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-) 268 (1969) 1132–1135; doi:

data_1100029
_publ_section_title
;
Etude et structure d'une nouvelle phase du sous-nitrure de titane Ti~2~
N
;
_journal_name_full
;
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences,
Serie C, Sciences Chimiques (1966-)
;
_journal_page_first              1132
_journal_page_last               1135
_journal_volume                  268
_journal_year                    1969
_chemical_formula_structural     'Ti2 N'
_chemical_formula_sum            'N Ti2'
_chemical_name_systematic        'Titanium nitride (2/1) - $-alpha'
_space_group_IT_number           141
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-I 4bd 2'
_symmetry_space_group_name_H-M   'I 41/a m d :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.140(2)
_cell_length_b                   4.140(2)
_cell_length_c                   8.805(5)
_cell_volume                     150.9
_refine_ls_R_factor_all          0.049
_cod_original_sg_symbol_H-M      'I 41/a m d Z'
_cod_database_code               1100029
Structure of vacancy-ordered titanium heminitride δ'-Ti~2~N by powder neutron diffraction
Christensen, A. N.; Alamo, A.; Landesman, J. P.; Acta Crystallographica, Section C: Crystal Structure Communications 41 (1985) 1009–1011; doi:10.1107/s0108270185006370

data_1100030
_publ_section_title
;
 Structure of vacancy-ordered titanium heminitride \d'-Ti~2~N by
 powder neutron diffraction
;
_journal_coden_ASTM              ACSCEE
_journal_issue                   7
_journal_name_full
;
 Acta Crystallographica, Section C: Crystal Structure Communications
;
_journal_page_first              1009
_journal_page_last               1011
_journal_paper_doi               10.1107/s0108270185006370
_journal_volume                  41
_journal_year                    1985
_chemical_formula_structural     'Ti2 N'
_chemical_formula_sum            'N Ti2'
_chemical_name_systematic        'Titanium nitride - \d''
_space_group_IT_number           141
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-I 4bd 2'
_symmetry_space_group_name_H-M   'I 41/a m d :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.1493(2)
_cell_length_b                   4.1493
_cell_length_c                   8.7858(5)
_cell_volume                     151.3
_refine_ls_R_factor_all          0.061
_cod_original_sg_symbol_H-M      'I 41/a m d Z'
_cod_database_code               1100030
Structural Studies on the Titanium-Nitrogen System
Holmberg, B; Acta Chemica Scandinavica (1-27,1973-42,1988) 16 (1962) 1255–1261; doi:10.3891/acta.chem.scand.16-1255

data_1100031
_publ_section_title
;
Structural Studies on the Titanium-Nitrogen System
;
_journal_name_full
;
Acta Chemica Scandinavica (1-27,1973-42,1988)
;
_journal_page_first              1255
_journal_page_last               1261
_journal_paper_doi               10.3891/acta.chem.scand.16-1255
_journal_volume                  16
_journal_year                    1962
_chemical_formula_structural     'Ti2 N'
_chemical_formula_sum            'N Ti2'
_chemical_name_systematic        'Titanium nitride (2/1)'
_space_group_IT_number           136
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      136
_symmetry_space_group_name_Hall  '-P 4n 2n'
_symmetry_space_group_name_H-M   'P 42/m n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.9452
_cell_length_b                   4.9452
_cell_length_c                   3.0342
_cell_volume                     74.2
_exptl_crystal_density_meas      4.86
_refine_ls_R_factor_all          0.094
_cod_database_code               1100031