LMucko/crystallography-open-database huggingface dataset:
Neubestimmung der Kristallstrukturen des dimorphen Natriumhydroxids, Na O H, bei verschiedenen Temperaturen mit Roentgenstrahl- und Neutronenbeugung
Stehr, H.; Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 125 (1967) 332–359; doi:

data_8104275
_publ_section_title
;
 Neubestimmung der Kristallstrukturen des dimorphen Natriumhydroxids, Na O
 H, bei verschiedenen Temperaturen mit Roentgenstrahl- und
 Neutronenbeugung
;
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, 
Kristallchemie (-144,1977)
;
_journal_page_first              332
_journal_page_last               359
_journal_volume                  125
_journal_year                    1967
_chemical_formula_sum            'H Na O'
_chemical_name_systematic        'Na (O H)'
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 109.83
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.434
_cell_length_b                   3.428
_cell_length_c                   6.068
_cell_volume                     67.195
_citation_journal_id_ASTM        ZEKGAX
_cod_data_source_file            Stehr_ZEKGAX_1967_1548.cif
_cod_data_source_block           H1Na1O1
_cod_original_cell_volume        67.19537
_cod_original_formula_sum        'H1 Na1 O1'
_cod_database_code               8104275
Roentgenstrukturanalysen von Cyclododecaschwefel (S12) und Cyclododecaschwefel-1-Kohlendisulfid ((S12) * (C S2))
Steidel, J.; Steudel, R.; Kutoglu, A.; Zeitschrift fuer Anorganische und Allgemeine Chemie 476 (1981) 171–178; doi:

data_1539122
_publ_section_title
;
 Roentgenstrukturanalysen von Cyclododecaschwefel (S12) und
 Cyclododecaschwefel-1-Kohlendisulfid ((S12) * (C S2))
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              171
_journal_page_last               178
_journal_volume                  476
_journal_year                    1981
_chemical_formula_sum            S12
_space_group_IT_number           58
_symmetry_space_group_name_Hall  '-P 2 2n'
_symmetry_space_group_name_H-M   'P n n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.725
_cell_length_b                   9.104
_cell_length_c                   14.532
_cell_volume                     625.114
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Steidel_ZAACAB_1981_1350.cif
_cod_data_source_block           S12
_cod_original_cell_volume        625.1143
_cod_database_code               1539122
Roentgenstrukturanalysen von Cyclododecaschwefel (S12) und Cyclododecaschwefel-1-Kohlendisulfid ((S12) * (C S2))
Steidel, J.; Steudel, R.; Kutoglu, A.; Zeitschrift fuer Anorganische und Allgemeine Chemie 476 (1981) 171–178; doi:

data_1539123
_publ_section_title
;
 Roentgenstrukturanalysen von Cyclododecaschwefel (S12) und
 Cyclododecaschwefel-1-Kohlendisulfid ((S12) * (C S2))
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              171
_journal_page_last               178
_journal_volume                  476
_journal_year                    1981
_chemical_formula_sum            'C S14'
_chemical_name_systematic        'S12 (C S2)'
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   10.668
_cell_length_b                   10.668
_cell_length_c                   11.551
_cell_volume                     1138.456
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Steidel_ZAACAB_1981_1351.cif
_cod_data_source_block           C1S14
_cod_original_formula_sum        'C1 S14'
_cod_database_code               1539123
The molecular and crystal structure of K H C O3 Mg C O3 (H2 O)4
Stephan, G.W.; MacGillavry, C.H.; Koch, B.; Acta Crystallographica B (24,1968-38,1982) 28 (1972) 1029–1031; doi:

data_2107183
_publ_section_title
;
 The molecular and crystal structure of K H C O3 Mg C O3 (H2 O)4
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1029
_journal_page_last               1031
_journal_volume                  28
_journal_year                    1972
_chemical_formula_sum            'C2 H9 K Mg O10'
_chemical_name_systematic        'K Mg (H C O3) (C O3) (H2 O)4'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                108.2
_cell_angle_beta                 108.9
_cell_angle_gamma                59.6
_cell_formula_units_Z            1
_cell_length_a                   6.713
_cell_length_b                   7.337
_cell_length_c                   5.364
_cell_volume                     211.990
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Stephan_ACBCAR_1972_1959.cif
_cod_data_source_block           C2H9K1Mg1O10
_cod_original_cell_volume        211.9897
_cod_original_formula_sum        'C2 H9 K1 Mg1 O10'
_cod_database_code               2107183
The crystal structure of the high temperature form of Ta2 O2
Stephenson, N.C.; Roth, R.S.; Journal of Solid State Chemistry 3 (1971) 145–153; doi:

data_1539124
_publ_section_title
;
 The crystal structure of the high temperature form of Ta2 O2
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              145
_journal_page_last               153
_journal_volume                  3
_journal_year                    1971
_chemical_formula_sum            'O5 Ta2'
_chemical_name_systematic        'Ta2 O5'
_space_group_IT_number           5
_symmetry_space_group_name_Hall  'I 2y'
_symmetry_space_group_name_H-M   'I 1 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            6
_cell_length_a                   3.81
_cell_length_b                   3.81
_cell_length_c                   35.76399
_cell_volume                     519.154
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Stephenson_JSSCBI_1971_343.cif
_cod_data_source_block           O5Ta2
_cod_original_cell_volume        519.1536
_cod_original_sg_symbol_Hall     'C 2y (x,y,-x+z)'
_cod_database_code               1539124
The Crystal Structure of Trisodium Pentafluoroperoxoniobate(V) Hydrogendifluoride, Na3 (H F2) (Nb F5 (O2))
Stomberg, R.; Acta Chemica Scandinavica, Series A: (28,1974-) 35 (1981) 389–394; doi:

data_1539125
_publ_section_title
;
 The Crystal Structure of Trisodium Pentafluoroperoxoniobate(V)
 Hydrogendifluoride, Na3 (H F2) (Nb F5 (O2))
;
_journal_name_full
'Acta Chemica Scandinavica, Series A: (28,1974-)'
_journal_page_first              389
_journal_page_last               394
_journal_volume                  35
_journal_year                    1981
_chemical_formula_sum            'F7 H Na3 Nb O2'
_chemical_name_systematic        'Na3 H F2 Nb F5 O2'
_space_group_IT_number           60
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   6.703
_cell_length_b                   14.982
_cell_length_c                   14.092
_cell_volume                     1415.180
_citation_journal_id_ASTM        ACAPCT
_cod_data_source_file            Stomberg_ACAPCT_1981_11.cif
_cod_data_source_block           H1F7Na3Nb1O2
_cod_original_cell_volume        1415.18
_cod_original_formula_sum        'H1 F7 Na3 Nb1 O2'
_cod_database_code               1539125
The crystal structure of sodium pentafluoroperoxoniobate (V) dihydrate, Na2 (Nb F5 (O2)) (H2 O)2
Stomberg, R.; Acta Chemica Scandinavica, Series A: (28,1974-) 35 (1981) 489–495; doi:

data_1539126
_publ_section_title
;
 The crystal structure of sodium pentafluoroperoxoniobate (V) dihydrate,
 Na2 (Nb F5 (O2)) (H2 O)2
;
_journal_name_full
'Acta Chemica Scandinavica, Series A: (28,1974-)'
_journal_page_first              489
_journal_page_last               495
_journal_volume                  35
_journal_year                    1981
_chemical_formula_sum            'F5 H4 Na2 Nb O4'
_chemical_name_systematic        'Na2 Nb F5 O2 (H2 O)2'
_space_group_IT_number           41
_symmetry_space_group_name_Hall  'A 2 -2ab'
_symmetry_space_group_name_H-M   'A e a 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.361
_cell_length_b                   10.263
_cell_length_c                   6.89
_cell_volume                     732.648
_citation_journal_id_ASTM        ACAPCT
_cod_data_source_file            Stomberg_ACAPCT_1981_16.cif
_cod_data_source_block           H4F5Na2Nb1O4
_cod_original_cell_volume        732.6477
_cod_original_formula_sum        'H4 F5 Na2 Nb1 O4'
_cod_depositor_comments
;

2023-04-19
Space group name changed to comply with IUCR recomendations
                 miguel
;
_cod_original_sg_symbol_H-M   'A b a 2'
_cod_database_code               1539126
Die Kristallstruktur des Strontiumcyanamids
Strid, K.G.; Vannerberg, N.G.; Acta Chemica Scandinavica (1-27,1973-42,1988) 20 (1966) 1064–1073; doi:

data_1539127
_publ_section_title
;
 Die Kristallstruktur des Strontiumcyanamids
;
_journal_name_full
'Acta Chemica Scandinavica (1-27,1973-42,1988)'
_journal_page_first              1064
_journal_page_last               1073
_journal_volume                  20
_journal_year                    1966
_chemical_formula_sum            'C N1.5 Sr'
_chemical_name_systematic        'Sr (C N2)'
_space_group_IT_number           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            8
_cell_length_a                   10.379
_cell_length_b                   10.379
_cell_length_c                   6.633
_cell_volume                     618.802
_citation_journal_id_ASTM        ACSAA4
_cod_data_source_file            Strid_ACSAA4_1966_1857.cif
_cod_data_source_block           C1N1.5Sr1
_cod_original_cell_volume        618.8019
_cod_original_formula_sum        'C1 N1.5 Sr1'
_cod_database_code               1539127
On the crystal structures of the high-temperature forms of strontium and barium carbonate and structurally related compounds
Stromme, K.O.; Acta Chemica Scandinavica, Series A: (28,1974-) 29 (1975) 105–110; doi:

data_1539128
_publ_section_title
;
 On the crystal structures of the high-temperature forms of strontium and
 barium carbonate and structurally related compounds
;
_journal_name_full
'Acta Chemica Scandinavica, Series A: (28,1974-)'
_journal_page_first              105
_journal_page_last               110
_journal_volume                  29
_journal_year                    1975
_chemical_formula_sum            'C O3 Sr'
_chemical_name_systematic        'Sr (C O3)'
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   5.092
_cell_length_b                   5.092
_cell_length_c                   9.53
_cell_volume                     213.993
_citation_journal_id_ASTM        ACAPCT
_cod_data_source_file            Stromme_ACAPCT_1975_1885.cif
_cod_data_source_block           C1O3Sr1
_cod_original_cell_volume        213.9934
_cod_original_formula_sum        'C1 O3 Sr1'
_cod_database_code               1539128
On the crystal structures of the high-temperature forms of strontium and barium carbonate and structurally related compounds
Stromme, K.O.; Acta Chemica Scandinavica, Series A: (28,1974-) 29 (1975) 105–110; doi:

data_1539129
_publ_section_title
;
 On the crystal structures of the high-temperature forms of strontium and
 barium carbonate and structurally related compounds
;
_journal_name_full
'Acta Chemica Scandinavica, Series A: (28,1974-)'
_journal_page_first              105
_journal_page_last               110
_journal_volume                  29
_journal_year                    1975
_chemical_formula_sum            'C Ba O3'
_chemical_name_systematic        'Ba (C O3)'
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   5.205
_cell_length_b                   5.205
_cell_length_c                   10.55
_cell_volume                     247.528
_citation_journal_id_ASTM        ACAPCT
_cod_data_source_file            Stromme_ACAPCT_1975_1887.cif
_cod_data_source_block           C1Ba1O3
_cod_original_cell_volume        247.5281
_cod_original_formula_sum        'C1 Ba1 O3'
_cod_database_code               1539129
On the crystal structures of the high-temperature forms of strontium and barium carbonate and structurally related compounds
Stromme, K.O.; Acta Chemica Scandinavica, Series A: (28,1974-) 29 (1975) 105–110; doi:

data_1539130
_publ_section_title
;
 On the crystal structures of the high-temperature forms of strontium and
 barium carbonate and structurally related compounds
;
_journal_name_full
'Acta Chemica Scandinavica, Series A: (28,1974-)'
_journal_page_first              105
_journal_page_last               110
_journal_volume                  29
_journal_year                    1975
_chemical_formula_sum            'C Ba O3'
_chemical_name_systematic        'Ba (C O3)'
_space_group_IT_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                   6.96
_cell_length_b                   6.96
_cell_length_c                   6.96
_cell_volume                     337.154
_citation_journal_id_ASTM        ACAPCT
_cod_data_source_file            Stromme_ACAPCT_1975_1889.cif
_cod_data_source_block           C1Ba1O3
_cod_original_cell_volume        337.1535
_cod_original_formula_sum        'C1 Ba1 O3'
_cod_database_code               1539130
Die Kristallstruktur des Na3 (Y (N H2)6)
Stuhr, A.; Jacobs, H.; Juza, R.; Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977) 25 (1970) 1483–1483; doi:

data_7222915
_publ_section_title
;
 Die Kristallstruktur des Na3 (Y (N H2)6)
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische 
Chemie (2,1947-32,1977)
;
_journal_page_first              1483
_journal_page_last               1483
_journal_volume                  25
_journal_year                    1970
_chemical_formula_sum            'H12 N6 Na3 Y'
_chemical_name_systematic        'Na3 (Y (N H2)6)'
_space_group_IT_number           70
_symmetry_space_group_name_Hall  '-F 2uv 2vw'
_symmetry_space_group_name_H-M   'F d d d :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   7.24
_cell_length_b                   10.93
_cell_length_c                   21.68
_cell_volume                     1715.608
_citation_journal_id_ASTM        ZENBAX
_cod_data_source_file            Stuhr_ZENBAX_1970_670.cif
_cod_data_source_block           H12N6Na3Y1
_cod_original_formula_sum        'H12 N6 Na3 Y1'
_cod_database_code               7222915
Effect of Metal-Ligand Bond Distances on Rates of Electron-Transfer Reactions. The Crystal Structures of Hexaammineruthenium(II) Iodide, (Ru (N H3)6) I2, and Hexaammineruthenium(III) Tetrafluoroborate, (Ru (N H3)6) (B F4)3
Stynes, H.C.; Ibers, J.A.; Inorganic Chemistry 10 (1971) 2304–2308; doi:

data_4344354
_publ_section_title
;
 Effect of Metal-Ligand Bond Distances on Rates of Electron-Transfer
 Reactions. The Crystal Structures of Hexaammineruthenium(II) Iodide, (Ru
 (N H3)6) I2, and Hexaammineruthenium(III) Tetrafluoroborate, (Ru (N H3)6)
 (B F4)3
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2304
_journal_page_last               2308
_journal_volume                  10
_journal_year                    1971
_chemical_formula_sum            'H18 I2 N6 Ru'
_chemical_name_systematic        '(Ru (N H3)6) I2'
_space_group_IT_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                   10.841
_cell_length_b                   10.841
_cell_length_c                   10.841
_cell_volume                     1274.113
_citation_journal_id_ASTM        INOCAJ
_cod_data_source_file            Stynes_INOCAJ_1971_1091.cif
_cod_data_source_block           H18I2N6Ru1
_cod_original_formula_sum        'H18 I2 N6 Ru1'
_cod_database_code               4344354
Effect of Metal-Ligand Bond Distances on Rates of Electron-Transfer Reactions. The Crystal Structures of Hexaammineruthenium(II) Iodide, (Ru (N H3)6) I2 and Hexaammineruthenium(III) Tetrafluoroborate, (Ru (N H3)6) (B F4)3
Stynes, H. C.; Ibers, J. A.; Inorganic Chemistry 10 (1971) 2304–2308; doi:

data_4344355
_publ_section_title
;
 Effect of Metal-Ligand Bond Distances on Rates of Electron-Transfer
 Reactions. The Crystal Structures of Hexaammineruthenium(II) Iodide, (Ru
 (N H3)6) I2 and Hexaammineruthenium(III) Tetrafluoroborate, (Ru (N H3)6)
 (B F4)3
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2304
_journal_page_last               2308
_journal_volume                  10
_journal_year                    1971
_chemical_formula_sum            'B3 F12 H18 N6 Ru'
_chemical_name_systematic        '(Ru (N H3)6) (B F4)3'
_space_group_IT_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                   11.385
_cell_length_b                   11.385
_cell_length_c                   11.385
_cell_volume                     1475.703
_citation_journal_id_ASTM        INOCAJ
_cod_data_source_file            Stynes_INOCAJ_1971_1092.cif
_cod_data_source_block           H18B3F12N6Ru1
_cod_original_cell_volume        1475.704
_cod_original_formula_sum        'H18 B3 F12 N6 Ru1'
_cod_database_code               4344355
Preparation and properties of a new iron phosphide Fe P4
Sugitani, M.; Kinomura, N.; Koizumi, M.; Kume, S.; Journal of Solid State Chemistry 26 (1978) 195–201; doi:

data_1539131
_publ_section_title
;
 Preparation and properties of a new iron phosphide Fe P4
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              195
_journal_page_last               201
_journal_volume                  26
_journal_year                    1978
_chemical_formula_sum            'Fe P4'
_space_group_IT_number           20
_symmetry_space_group_name_Hall  'C 2c 2'
_symmetry_space_group_name_H-M   'C 2 2 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.005
_cell_length_b                   10.213
_cell_length_c                   5.53
_cell_volume                     282.672
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Sugitani_JSSCBI_1978_29.cif
_cod_data_source_block           Fe1P4
_cod_original_cell_volume        282.6719
_cod_original_formula_sum        'Fe1 P4'
_cod_database_code               1539131
Ge Cd4 S6, a new defect tetrahedral structure type
Susa, K.; Steinfink, H.; Inorganic Chemistry 10 (1971) 1754–1756; doi:

data_4344356
_publ_section_title
;
 Ge Cd4 S6, a new defect tetrahedral structure type
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1754
_journal_page_last               1756
_journal_volume                  10
_journal_year                    1971
_chemical_formula_sum            'Cd4 Ge S6'
_chemical_name_systematic        'Ge Cd4 S6'
_space_group_IT_number           9
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 110.2
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.346
_cell_length_b                   7.084
_cell_length_c                   12.378
_cell_volume                     1015.983
_citation_journal_id_ASTM        INOCAJ
_cod_data_source_file            Susa_INOCAJ_1971_1158.cif
_cod_data_source_block           Cd4Ge1S6
_cod_original_formula_sum        'Cd4 Ge1 S6'
_cod_database_code               4344356
Synthesis of a Di-iron-spirocyclotriphosphazene and a Tri-iron-cluster-cyclotriphosphazene
Suszko, P.R.; Allcock, H.R.; Whittle, R.R.; Journal of the Chemical Society. Chemical Communications (1972-) 1982 (1982) 1344–1344; doi:

data_7117936
_publ_section_title
;
 Synthesis of a Di-iron-spirocyclotriphosphazene and a
 Tri-iron-cluster-cyclotriphosphazene
;
_journal_name_full
;
Journal of the Chemical Society. Chemical Communications (1972-)
;
_journal_page_first              1344
_journal_page_last               1344
_journal_volume                  1982
_journal_year                    1982
_chemical_formula_sum            'C8 Cl4 Fe2 N3 O8 P3'
_chemical_name_systematic        'N3 P3 Cl4 (Fe (C O)4)2'
_space_group_IT_number           4
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 97.22
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.15
_cell_length_b                   16.723
_cell_length_c                   15.556
_cell_volume                     2103.354
_citation_journal_id_ASTM        JCCCAT
_cod_data_source_file            Suszko_JCCCAT_1982_317.cif
_cod_data_source_block           C8Cl4Fe2N3O8P3
_cod_database_code               7117936