LMucko/crystallography-open-database huggingface dataset:
Refinement of the structure of beta-manganese and of related phase in the Mn-Ni-Si system
Shoemaker, C. B.; Shoemaker, D. P.; Hopkins, T. E.; Yindepit, S.; Acta Crystallographica, Section B 34 (1978) 3573–3576; doi:10.1107/S0567740878011620

data_9011197
_publ_section_title
;
 Refinement of the structure of beta-manganese and of related phase in the
 Mn-Ni-Si system
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              3573
_journal_page_last               3576
_journal_paper_doi               10.1107/S0567740878011620
_journal_volume                  34
_journal_year                    1978
_chemical_compound_source        Synthetic
_chemical_formula_sum            Mn
_chemical_name_mineral           Manganese-beta
_space_group_IT_number           213
_symmetry_space_group_name_Hall  'P 4bd 2ab 3'
_symmetry_space_group_name_H-M   'P 41 3 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   6.315
_cell_length_b                   6.315
_cell_length_c                   6.315
_cell_formula_units_Z            20
_cell_volume                     251.837
_database_code_amcsd             0009651
_exptl_crystal_density_diffrn    7.245
_cod_database_code               9011197
Refinement of the structure of beta-manganese and of related phase in the Mn-Ni-Si system
Shoemaker, C. B.; Shoemaker, D. P.; Hopkins, T. E.; Yindepit, S.; Acta Crystallographica, Section B 34 (1978) 3573–3576; doi:10.1107/S0567740878011620

data_9011198
_publ_section_title
;
 Refinement of the structure of beta-manganese and of related phase in the
 Mn-Ni-Si system
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              3573
_journal_page_last               3576
_journal_paper_doi               10.1107/S0567740878011620
_journal_volume                  34
_journal_year                    1978
_chemical_compound_source        Synthetic
_chemical_formula_structural     Mn66Ni20Si14
_chemical_formula_sum            'Mn3.28 Ni1.01 Si0.71'
_space_group_IT_number           198
_symmetry_space_group_name_Hall  'P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P 21 3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   6.292
_cell_length_b                   6.292
_cell_length_c                   6.292
_cell_formula_units_Z            4
_cell_volume                     249.096
_database_code_amcsd             0009652
_exptl_crystal_density_diffrn    6.917
_cod_original_formula_sum        'Mn3.28 Ni1.01 Si.71'
_cod_database_code               9011198
_amcsd_formula_title             Mn66Ni20Si14
Crystal structure of a struvite analogue, MgKPO4*6H2O
Mathew, M.; Schroeder, L. W.; Acta Crystallographica, Section B 35 (1979) 11–13; doi:10.1107/S0567740879002429

data_9011199
_publ_section_title
;
 Crystal structure of a struvite analogue, MgKPO4*6H2O
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              11
_journal_page_last               13
_journal_paper_doi               10.1107/S0567740879002429
_journal_volume                  35
_journal_year                    1979
_chemical_compound_source        Synthetic
_chemical_formula_sum            'H12 K Mg O10 P'
_chemical_name_mineral           Struvite-K
_space_group_IT_number           31
_symmetry_space_group_name_Hall  'P 2ac -2'
_symmetry_space_group_name_H-M   'P m n 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   6.873
_cell_length_b                   6.160
_cell_length_c                   11.087
_cell_formula_units_Z            2
_cell_volume                     469.398
_database_code_amcsd             0009654
_exptl_crystal_density_diffrn    1.885
_cod_original_formula_sum        'K Mg P O10 H12'
_cod_database_code               9011199
The structure of bytownite quenched from 1723 K Locality: satellite dyke, Traversella stock, Sesia Lanzo zone, Western Alps, Italy Sample: non-split model Note: T and O anisoB's from ICSD
Facchinelli, A.; Bruno, E.; Chiari, G.; Acta Crystallographica, Section B 35 (1979) 34–42; doi:10.1107/S0567740879002478

data_9011200
_publ_section_title
;The structure of bytownite quenched from 1723 K Locality: satellite dyke,
 Traversella stock, Sesia Lanzo zone, Western Alps, Italy Sample: non-split
 model Note: T and O anisoB's from ICSD
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              34
_journal_page_last               42
_journal_paper_doi               10.1107/S0567740879002478
_journal_volume                  35
_journal_year                    1979
_chemical_formula_sum            'Al0.92 Ca0.43 Na0.07 O4 Si1.08'
_chemical_name_mineral           Bytownite
_space_group_IT_number           2
_symmetry_space_group_name_Hall
'-P 1 (-1/2*x+1/2*y+1/2*z,1/2*x-1/2*y+1/2*z,1/2*x+1/2*y-1/2*z)'
_symmetry_space_group_name_H-M   'I -1'
_cell_angle_alpha                93.38
_cell_angle_beta                 115.87
_cell_angle_gamma                90.82
_cell_length_a                   8.183
_cell_length_b                   12.883
_cell_length_c                   14.186
_cell_formula_units_Z            16
_cell_volume                     1341.964
_exptl_crystal_density_diffrn    2.732
_exptl_crystal_thermal_history   'quenched from 1723 K'
_cod_depositor_comments
;
 Adding _atom_site_type_symbol label and values.

 Antanas Vaitkus
 2013-03-28
;
_cod_original_formula_sum        'Ca.43 Na.07 (Al.92 Si1.08) O4'
_cod_database_code               9011200
_database_code_amcsd 0009655
The structure of bytownite quenched from 1723 K Locality: satellite dyke, Traversella stock, Sesia Lanzo zone, Western Alps, Italy Sample: BytQ, P-1 model
Facchinelli, A.; Bruno, E.; Chiari, G.; Acta Crystallographica, Section B 35 (1979) 34–42; doi:10.1107/S0567740879002478

data_9011201
_publ_section_title
;The structure of bytownite quenched from 1723 K Locality: satellite dyke,
 Traversella stock, Sesia Lanzo zone, Western Alps, Italy Sample: BytQ, P-1
 model
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              34
_journal_page_last               42
_journal_paper_doi               10.1107/S0567740879002478
_journal_volume                  35
_journal_year                    1979
_chemical_formula_sum            'Al7.76 Ca3.44 Na0.56 O32 Si8.24'
_chemical_name_mineral           Bytownite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                93.38
_cell_angle_beta                 115.87
_cell_angle_gamma                90.82
_cell_length_a                   8.183
_cell_length_b                   12.883
_cell_length_c                   14.186
_cell_formula_units_Z            2
_cell_volume                     1341.964
_exptl_crystal_density_diffrn    2.731
_exptl_crystal_thermal_history   'quenched from 1723 K'
_cod_depositor_comments
;
 Adding _atom_site_type_symbol label and values.

 Antanas Vaitkus
 2013-03-28
;
_cod_original_formula_sum        '(Ca3.44 Na.56) Al7.76 Si8.24 O32'
_cod_database_code               9011201
_database_code_amcsd 0009656
Cannizzarite Locality: Vulcano, Italy
Matzat, E.; Acta Crystallographica, Section B 35 (1979) 133–136; doi:10.1107/S0567740879002715

data_9011202
_publ_section_title
;
 Cannizzarite
 Locality: Vulcano, Italy
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              133
_journal_page_last               136
_journal_paper_doi               10.1107/S0567740879002715
_journal_volume                  35
_journal_year                    1979
_chemical_formula_sum            'Bi54 Pb46 S127'
_chemical_name_mineral           Cannizzarite
_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                 11.93
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   189.8
_cell_length_b                   4.09
_cell_length_c                   74.06
_cell_volume                     11884.430
_exptl_crystal_density_diffrn    6.955
_cod_depositor_comments
;
 Adding _atom_site_type_symbol label and values.

 Antanas Vaitkus
 2013-03-29
;
_cod_original_cell_volume        11884.445
_cod_original_formula_sum        'Pb46 Bi54 S127'
_cod_database_code               9011202
Bismuth tellurides: BiTe and Bi4Te3 Note: anisoB's from ICSD
Yamana, K.; Kihara, K.; Matsumoto, T.; Acta Crystallographica, Section B 35 (1979) 147–149; doi:10.1107/S0567740879002788

data_9011203
_publ_section_title
;
 Bismuth tellurides: BiTe and Bi4Te3
 Note: anisoB's from ICSD
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              147
_journal_page_last               149
_journal_paper_doi               10.1107/S0567740879002788
_journal_volume                  35
_journal_year                    1979
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Bi4 Te3'
_chemical_name_mineral           Pilsenite
_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_length_a                   4.451
_cell_length_b                   4.451
_cell_length_c                   41.888
_cell_formula_units_Z            3
_cell_volume                     718.680
_database_code_amcsd             0009659
_exptl_crystal_density_diffrn    8.448
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_database_code               9011203
Bismuth tellurides: BiTe and Bi4Te3 Note: anisoB's from ICSD
Yamana, K.; Kihara, K.; Matsumoto, T.; Acta Crystallographica, Section B 35 (1979) 147–149; doi:10.1107/S0567740879002788

data_9011204
_publ_section_title
;
 Bismuth tellurides: BiTe and Bi4Te3
 Note: anisoB's from ICSD
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              147
_journal_page_last               149
_journal_paper_doi               10.1107/S0567740879002788
_journal_volume                  35
_journal_year                    1979
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Bi Te'
_chemical_name_mineral           Tsumoite
_space_group_IT_number           164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   4.423
_cell_length_b                   4.423
_cell_length_c                   24.002
_cell_formula_units_Z            6
_cell_volume                     406.642
_database_code_amcsd             0009660
_exptl_crystal_density_diffrn    8.247
_cod_database_code               9011204
Die kristallstruktur von antimon(V)-oxid
Jansen, M.; Acta Crystallographica, Section B 35 (1979) 539–542; doi:10.1107/S056774087900409X

data_9011205
_publ_section_title
;
 Die kristallstruktur von antimon(V)-oxid
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              539
_journal_page_last               542
_journal_paper_doi               10.1107/S056774087900409X
_journal_volume                  35
_journal_year                    1979
_chemical_formula_structural     Sb2O5
_chemical_formula_sum            'O5 Sb2'
_space_group_IT_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                 103.91
_cell_angle_gamma                90
_cell_length_a                   12.646
_cell_length_b                   4.7820
_cell_length_c                   5.4247
_cell_formula_units_Z            4
_cell_volume                     318.429
_database_code_amcsd             0009662
_exptl_crystal_density_diffrn    6.748
_cod_original_formula_sum        'Sb2 O5'
_cod_database_code               9011205
_amcsd_formula_title             Sb2O5
Refinement of the structure of descloizite Note: anisoB's from ICSD
Hawthorne, F. C.; Faggiani, R.; Acta Crystallographica, Section B 35 (1979) 717–720; doi:10.1107/S0567740879004519

data_9011206
_publ_section_title
;
 Refinement of the structure of descloizite
 Note: anisoB's from ICSD
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              717
_journal_page_last               720
_journal_paper_doi               10.1107/S0567740879004519
_journal_volume                  35
_journal_year                    1979
_chemical_formula_sum            'H O5 Pb V Zn'
_chemical_name_mineral           Descloizite
_space_group_IT_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                   7.593
_cell_length_b                   6.057
_cell_length_c                   9.416
_cell_volume                     433.049
_database_code_amcsd             0009663
_exptl_crystal_density_diffrn    6.205
_cod_original_formula_sum        'Pb Zn V O5 H'
_cod_database_code               9011206
The crystal structures of nitrates of divalent hexaquocations. II. Hexaquomagnesium nitrate Note: z(Wat2) corrected
Braibanti, A.; Tiripicchio, A.; Lanfredi, A. M. M.; Bigoli, F.; Acta Crystallographica, Section B 35 (1979) 354–361; doi:10.1107/S0567740869002226

data_9011207
_publ_section_title
;
 The crystal structures of nitrates of divalent hexaquocations. II.
 Hexaquomagnesium nitrate
 Note: z(Wat2) corrected
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              354
_journal_page_last               361
_journal_paper_doi               10.1107/S0567740869002226
_journal_volume                  35
_journal_year                    1979
_chemical_compound_source        Synthetic
_chemical_formula_sum            'H12 Mg N2 O12'
_chemical_name_mineral           Nitromagnesite
_space_group_IT_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                 92.99
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.194
_cell_length_b                   12.707
_cell_length_c                   6.600
_cell_volume                     518.760
_database_code_amcsd             0009664
_exptl_crystal_density_diffrn    1.642
_cod_original_formula_sum        'Mg N2 O12 H12'
_cod_database_code               9011207
Structure cristalline du disulfate d'antimoine(III) Sb2(S2O7)3
Douglade, J.; Mercier, R.; Acta Crystallographica, Section B 35 (1979) 1062–1067; doi:10.1107/S0567740879005586

data_9011208
_publ_section_title
;
 Structure cristalline du disulfate d'antimoine(III) Sb2(S2O7)3
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              1062
_journal_page_last               1067
_journal_paper_doi               10.1107/S0567740879005586
_journal_volume                  35
_journal_year                    1979
_chemical_formula_structural     Sb2(S2O7)3
_chemical_formula_sum            'O21 S6 Sb2'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                92.69
_cell_angle_beta                 82.29
_cell_angle_gamma                96.88
_cell_length_a                   6.644
_cell_length_b                   12.390
_cell_length_c                   9.678
_cell_formula_units_Z            2
_cell_volume                     783.412
_database_code_amcsd             0009666
_exptl_crystal_density_diffrn    3.272
_cod_original_formula_sum        'Sb2 S6 O21'
_cod_database_code               9011208
_amcsd_formula_title             Sb2(S2O7)3
Redetermination de la structure du sulfate de vanadyle pentahydrate VOSO4*5H2O Locality: synthetic Note: anisoB's from ICSD
Tachez, M.; Theobald, F. R.; Watson, K. J.; Mercier, R.; Acta Crystallographica, Section B 35 (1979) 1545–1550; doi:10.1107/S0567740879007093

data_9011209
_publ_section_title
;Redetermination de la structure du sulfate de vanadyle pentahydrate
 VOSO4*5H2O Locality: synthetic Note: anisoB's from ICSD
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              1545
_journal_page_last               1550
_journal_paper_doi               10.1107/S0567740879007093
_journal_volume                  35
_journal_year                    1979
_chemical_compound_source        Synthetic
_chemical_formula_sum            'H10 O10 S V'
_chemical_name_mineral           Minasragrite
_space_group_IT_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                 110.90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.976
_cell_length_b                   9.716
_cell_length_c                   12.902
_cell_volume                     816.945
_database_code_amcsd             0009674
_exptl_crystal_density_diffrn    2.058
_cod_depositor_comments
;
       Insterting Z value to be consistent with given formula
                                  miguel
;
_cod_original_formula_sum        'V S O10 H10'
_cod_database_code               9011209
Structure of phuralumite
Piret, P.; Piret-Meunier J; Declercq, J. P.; Acta Crystallographica, Section B 35 (1979) 1880–1882; doi:10.1107/S0567740879007950

data_9011210
_publ_section_title
;
 Structure of phuralumite
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              1880
_journal_page_last               1882
_journal_paper_doi               10.1107/S0567740879007950
_journal_volume                  35
_journal_year                    1979
_chemical_compound_source        'Kobokobo, Kivu, Zaire'
_chemical_formula_sum            'Al2 O30 P2 U3'
_chemical_name_mineral           Phuralumite
_space_group_IT_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                 112.44
_cell_angle_gamma                90
_cell_length_a                   13.836
_cell_length_b                   20.918
_cell_length_c                   9.428
_cell_formula_units_Z            4
_cell_volume                     2522.050
_database_code_amcsd             0009687
_exptl_crystal_density_diffrn    3.450
_cod_original_formula_sum        'Al2 U3 P2 O30'
_cod_database_code               9011210
Structure du rhodostannite synthetique
Jumas, J. C.; Philippot, E.; Maurin, M.; Acta Crystallographica, Section B 35 (1979) 2195–2197; doi:10.1107/S0567740879008761

data_9011211
_publ_section_title
;
 Structure du rhodostannite synthetique
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              2195
_journal_page_last               2197
_journal_paper_doi               10.1107/S0567740879008761
_journal_volume                  35
_journal_year                    1979
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Cu Fe0.5 S4 Sn1.5'
_chemical_name_mineral           Rhodostannite
_space_group_IT_number           88
_symmetry_space_group_name_Hall  'I 4bw -1bw'
_symmetry_space_group_name_H-M   'I 41/a :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.305
_cell_length_b                   7.305
_cell_length_c                   10.330
_cell_volume                     551.240
_database_code_amcsd             0009688
_exptl_crystal_density_diffrn    4.793
_cod_original_sg_symbol_H-M      'I 41/a'
_cod_original_formula_sum        'Cu (Fe.5 Sn1.5) S4'
_cod_database_code               9011211
The crystal structure of amicite, a zeolite Locality: basaltic rock at Howenegg in Hegau, southern West Germany
Alberti, A.; Vezzalini, G.; Acta Crystallographica, Section B 35 (1979) 2866–2869; doi:10.1107/S0567740879010852

data_9011212
_publ_section_title
;
 The crystal structure of amicite, a zeolite
 Locality: basaltic rock at Howenegg in Hegau, southern West Germany
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              2866
_journal_page_last               2869
_journal_paper_doi               10.1107/S0567740879010852
_journal_volume                  35
_journal_year                    1979
_chemical_formula_sum            'Al2 H2.13 K Na O10.765 Si2'
_chemical_name_mineral           Amicite
_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                 88.19
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.226
_cell_length_b                   10.422
_cell_length_c                   9.884
_cell_volume                     1052.865
_cod_data_source_file            08902.cif
_cod_data_source_block           global
_cod_original_formula_sum        'K Na Al2 Si2 O10.765 H2.13'
_cod_database_code               9011212
_cod_duplicate_entry 9007633
HgBi2S4: Crystal structure and relationship with the pavonite homologous series Locality: synthetic
Mumme, W. G.; Watts, J. A.; Acta Crystallographica, Section B 36 (1980) 1300–1304; doi:10.1107/S0567740880005973

data_9011213
_publ_section_title
;HgBi2S4: Crystal structure and relationship with the pavonite homologous
 series Locality: synthetic
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              1300
_journal_page_last               1304
_journal_paper_doi               10.1107/S0567740880005973
_journal_volume                  36
_journal_year                    1980
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Bi2 Hg S4'
_chemical_name_mineral           Grumiplucite
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 118.27
_cell_angle_gamma                90
_cell_length_a                   14.17
_cell_length_b                   4.06
_cell_length_c                   13.99
_cell_formula_units_Z            4
_cell_volume                     708.850
_database_code_amcsd             0009710
_exptl_crystal_density_diffrn    6.998
_cod_original_formula_sum        'Hg Bi2 S4'
_cod_database_code               9011213