LMucko/crystallography-open-database huggingface dataset:
Iron silicides and their corresponding oxides: a high-pressure study of Fe5Si3 Note: P = 7.5 GPa
Santamaria-Perez D; Nuss, J.; Haines, J.; Jansen, M.; Vegas, A.; Solid State Sciences 6 (2004) 673–678; doi:10.1016/j.solidstatesciences.2004.03.027

data_9016187
_publ_section_title
;
 Iron silicides and their corresponding oxides: a high-pressure study of Fe5Si3
 Note: P = 7.5 GPa
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              673
_journal_page_last               678
_journal_paper_doi               10.1016/j.solidstatesciences.2004.03.027
_journal_volume                  6
_journal_year                    2004
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Fe5 Si3'
_chemical_name_mineral           Xifengite
_space_group_IT_number           193
_symmetry_space_group_name_Hall  '-P 6c 2'
_symmetry_space_group_name_H-M   'P 63/m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   6.7031
_cell_length_b                   6.7031
_cell_length_c                   4.676
_cell_formula_units_Z            2
_cell_volume                     181.952
_database_code_amcsd             0019675
_exptl_crystal_density_diffrn    6.635
_cod_database_code               9016187
Structure cristalline du trimetaphosphate de strontium sodium trihydrate. Sr Na P3 O9 (H2 O)3 _cod_database_code 1007033
Zilber, R.; Tordjman, I.; Durif, A.; Guitel, J.; Zeitschrift fur Kristallographie 140 (1974) 350–359; doi:10.1524/zkri.1974.140.5-6.350

data_9016188
_publ_section_title
;
 Structure cristalline du trimetaphosphate de strontium sodium
 trihydrate. Sr Na P3 O9 (H2 O)3
 _cod_database_code 1007033
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              350
_journal_page_last               359
_journal_paper_doi               10.1524/zkri.1974.140.5-6.350
_journal_volume                  140
_journal_year                    1974
_chemical_formula_sum            'Na O12 P3 Sr'
_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_length_a                   16.167
_cell_length_b                   12.013
_cell_length_c                   10.615
_cell_formula_units_Z            8
_cell_volume                     2061.583
_database_code_amcsd             0010767
_exptl_crystal_density_diffrn    2.549
_cod_duplicate_entry             1007033
_cod_original_formula_sum        'Sr Na P3 O12'
_cod_database_code               9016188
_amcsd_formula_title             'H6 Na O12 P3 Sr'
Tilting and distortion of CaSnO3 perovskite to 7 GPa determined from single-crystal X-ray diffraction Note: P = 5.98 GPa
Zhao, J.; Ross, N. L.; Angel, R. J.; Physics and Chemistry of Minerals 31 (2004) 299–305; doi:10.1007/s00269-004-0391-1

data_9016189
_publ_section_title
;
 Tilting and distortion of CaSnO3 perovskite to 7 GPa determined from
 single-crystal X-ray diffraction
 Note: P = 5.98 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              299
_journal_page_last               305
_journal_paper_doi               10.1007/s00269-004-0391-1
_journal_volume                  31
_journal_year                    2004
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ca O3 Sn'
_chemical_name_mineral           Megawite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.44480
_cell_length_b                   5.60887
_cell_length_c                   7.78906
_cell_formula_units_Z            4
_cell_volume                     237.871
_database_code_amcsd             0018611
_exptl_crystal_density_diffrn    5.774
_cod_original_formula_sum        'Ca Sn O3'
_cod_database_code               9016189
Natural analog of alpha-titanium in the exhalation products of the Great Tolbachik Fissure Eruption (Kamchatka)
Glavatskikh, S. F.; Gorshkov, A. I.; Doklady Akademii Nauk SSSR 327 (1992) 123–127; doi:

data_9016190
_publ_section_title
;
 Natural analog of alpha-titanium in the exhalation products of
 the Great Tolbachik Fissure Eruption (Kamchatka)
;
_journal_name_full               'Doklady Akademii Nauk SSSR'
_journal_page_first              123
_journal_page_last               127
_journal_volume                  327
_journal_year                    1992
_chemical_compound_source
'Great Tolbachik Fissure Eruption (Kamchatka)'
_chemical_formula_sum            Ti
_chemical_name_mineral           Titanium
_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_length_a                   2.95
_cell_length_b                   2.95
_cell_length_c                   4.68
_cell_formula_units_Z            2
_cell_volume                     35.271
_database_code_amcsd             0018800
_exptl_crystal_density_diffrn    4.508
_cod_database_code               9016190
The crystalline structure of hambergite Be2BO3(OH) _cod_database_code 1011268
Zachariasen, W.; Zeitschrift fur Kristallographie 76 (1931) 289–302; doi:

data_9016191
_publ_section_title
;
 The crystalline structure of hambergite Be2BO3(OH)
 _cod_database_code 1011268
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              289
_journal_page_last               302
_journal_volume                  76
_journal_year                    1931
_chemical_formula_sum            'B Be2 O4'
_chemical_name_mineral           Hambergite
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   9.75
_cell_length_b                   12.204
_cell_length_c                   4.429
_cell_formula_units_Z            8
_cell_volume                     527.002
_database_code_amcsd             0018127
_exptl_crystal_density_diffrn    2.340
_cod_duplicate_entry             1011268
_cod_original_formula_sum        'Be2 B O4'
_cod_database_code               9016191
Die Kristallstrukturen von Zn(NH3)2Cl2 und Zn(NH3)2Br2 _cod_database_code 1010198
MacGillavry, C.; Bijvoet, J.; Zeitschrift fur Kristallographie 94 (1936) 249–255; doi:

data_9016192
_publ_section_title
;
 Die Kristallstrukturen von Zn(NH3)2Cl2 und Zn(NH3)2Br2
 _cod_database_code 1010198
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              249
_journal_page_last               255
_journal_volume                  94
_journal_year                    1936
_chemical_formula_sum            'Br2 N2 Zn'
_space_group_IT_number           74
_symmetry_space_group_name_Hall  '-I 2c 2'
_symmetry_space_group_name_H-M   'I m a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.12
_cell_length_b                   8.81
_cell_length_c                   8.41
_cell_formula_units_Z            4
_cell_volume                     601.628
_database_code_amcsd             0017134
_exptl_crystal_density_diffrn    2.796
_cod_original_formula_sum        'Zn Br2 N2'
_cod_database_code               9016192
_amcsd_formula_title             Zn(NH3)2Br2
_cod_duplicate_entry 1010198
Structure determination and refinement of acid strontium oxalate from X-ray and neutron powder diffraction _cod_database_code 1000002
Vanhoyland, G.; Bouree, F.; Van Bael, M. K.; Mullens, J.; Van Poucke, L. C.; Journal of Solid State Chemistry 157 (2001) 283–288; doi:10.1006/jssc.2000.9057

data_9016193
_publ_section_title
;
 Structure determination and refinement of acid strontium oxalate from X-ray
 and neutron powder diffraction
 _cod_database_code 1000002
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              283
_journal_page_last               288
_journal_paper_doi               10.1006/jssc.2000.9057
_journal_volume                  157
_journal_year                    2001
_chemical_formula_sum            'C3 H3 O7 Sr'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 97.60
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.341
_cell_length_b                   16.880
_cell_length_c                   5.7798
_cell_volume                     613.213
_database_code_amcsd             0013996
_exptl_crystal_density_diffrn    2.585
_cod_duplicate_entry             1000002
_cod_original_formula_sum        'Sr O7 C3 H3'
_cod_database_code               9016193
_amcsd_formula_title             'Strontium oxalate'
A crystallographic contribution to the mechanism of a mechanically induced solid state reaction Note: milling time = 37 min (combustion)
Calos, N. J.; Forrester, J. S.; Schaffer, G. B.; Journal of Solid State Chemistry 122 (1996) 273–280; doi:10.1006/jssc.1996.0113

data_9016194
_publ_section_title
;
 A crystallographic contribution to the mechanism of a mechanically
 induced solid state reaction
 Note: milling time = 37 min (combustion)
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              273
_journal_page_last               280
_journal_paper_doi               10.1006/jssc.1996.0113
_journal_volume                  122
_journal_year                    1996
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Cu O'
_chemical_name_mineral           Tenorite
_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                 98.5981
_cell_angle_gamma                90
_cell_length_a                   4.6791
_cell_length_b                   3.4805
_cell_length_c                   5.1183
_cell_formula_units_Z            4
_cell_volume                     82.418
_database_code_amcsd             0018820
_exptl_crystal_density_diffrn    6.411
_cod_database_code               9016194
_cod_duplicate_entry 9015714
Crystal structures of six new uranyl selenate and selenite compounds and their relationship with uranyl mineral structures Note: Compound 2
Wylie, E. M.; Burns, P. C.; The Canadian Mineralogist 50 (2012) 147–157; doi:10.3749/canmin.50.1.147

data_9016195
_publ_section_title
;
 Crystal structures of six new uranyl selenate and selenite compounds and
 their relationship with uranyl mineral structures
 Note: Compound 2
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              147
_journal_page_last               157
_journal_paper_doi               10.3749/canmin.50.1.147
_journal_volume                  50
_journal_year                    2012
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Co1.5 Cs H4 O26 Se2 U4'
_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                 103.654
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.744
_cell_length_b                   14.380
_cell_length_c                   17.901
_cell_volume                     2187.237
_database_code_amcsd             0019086
_exptl_crystal_density_diffrn    5.318
_cod_original_cell_volume        2187.238
_cod_original_formula_sum        'Cs Co1.5 U4 Se2 O26 H4'
_cod_database_code               9016195
_amcsd_formula_title             U8Cs2Se4Co3O52
Neutron Diffraction Study of Ammonium Perchlorate
Smith, H. G.; Levy, H. A.; Acta Crystallographica 15 (1962) 1201–1206; doi:10.1107/S0365110X62003205

data_9016196
_publ_section_title
;
 Neutron Diffraction Study of Ammonium Perchlorate
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica'
_journal_page_first              1201
_journal_page_last               1206
_journal_paper_doi               10.1107/S0365110X62003205
_journal_volume                  15
_journal_year                    1962
_chemical_formula_sum            'Cl H4 N O4'
_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                   9.2
_cell_length_b                   5.82
_cell_length_c                   7.45
_cell_volume                     398.903
_database_code_amcsd             0016053
_exptl_crystal_density_diffrn    1.889
_cod_duplicate_entry             1008111
_cod_original_formula_sum        'N Cl O4'
_cod_database_code               9016196
_amcsd_formula_title             'Cl H4 N O4'
Crystal structure of A(VO2)(HPO4)(A=NH4,K,Rb) solved from X-ray powder diffraction _cod_database_code 1000081
Amoros, P.; Beltran-Porter D; Le Bail, A.; Ferey, G.; Villeneuve, G.; European Journal of Solid State and Inorganic Chemistry 25 (1988) 599–607; doi:

data_9016197
_publ_section_title
;
 Crystal structure of A(VO2)(HPO4)(A=NH4,K,Rb) solved
 from X-ray powder diffraction
 _cod_database_code 1000081
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              599
_journal_page_last               607
_journal_volume                  25
_journal_year                    1988
_chemical_formula_sum            'O6 P Rb V'
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   6.8182
_cell_length_b                   9.291
_cell_length_c                   17.631
_cell_formula_units_Z            8
_cell_volume                     1116.887
_database_code_amcsd             0012525
_exptl_crystal_density_diffrn    3.133
_cod_original_formula_sum        'Rb V P O6'
_cod_database_code               9016197
_amcsd_formula_title             Rb(VO2)(HPO4)
Structure cristalline d'un monophosphate acide mixte de nickel-sodium tetrahydrate Na2 Ni H8 (P O4)4 (H2 O)4
Boudjada, A.; Durif, A.; Guitel, J. C.; Acta Crystallographica, Section B 34 (1978) 17–20; doi:10.1107/S0567740878002216

data_9016198
_publ_section_title
;
 Structure cristalline d'un monophosphate acide mixte de nickel-sodium
 tetrahydrate  Na2 Ni H8 (P O4)4 (H2 O)4
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              17
_journal_page_last               20
_journal_paper_doi               10.1107/S0567740878002216
_journal_volume                  34
_journal_year                    1978
_chemical_formula_sum            'Na2 Ni O20 P4'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 100.2
_cell_angle_gamma                90
_cell_length_a                   11.10
_cell_length_b                   10.71
_cell_length_c                   7.224
_cell_formula_units_Z            2
_cell_volume                     845.224
_database_code_amcsd             0009622
_exptl_crystal_density_diffrn    2.155
_cod_duplicate_entry             1007019
_cod_original_formula_sum        'Ni Na2 P4 O20'
_cod_database_code               9016198
_amcsd_formula_title             'H16 Na2 Ni O20 P4'
X-ray Rietveld and 57Fe Mossbauer studies of epidote and piemontite on the join Ca2Al2FeSi3O12(OH) - Ca2Al2MnSi3O12(OH) formed by hydrothermal synthesis Sample: q=1.0, run 41
Nagashima, M.; Akasada, M.; American Mineralogist 95 (2010) 1237–1246; doi:10.2138/am.2010.3418

data_9016199
_publ_section_title
;
 X-ray Rietveld and 57Fe Mossbauer studies of epidote and piemontite on the join
 Ca2Al2FeSi3O12(OH) - Ca2Al2MnSi3O12(OH) formed by hydrothermal synthesis
 Sample: q=1.0, run 41
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1237
_journal_page_last               1246
_journal_paper_doi               10.2138/am.2010.3418
_journal_volume                  95
_journal_year                    2010
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Al2.09 Ca2 Fe0.91 H O13 Si3'
_chemical_name_mineral           Epidote
_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                 115.432
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.8902
_cell_length_b                   5.6366
_cell_length_c                   10.1600
_cell_volume                     459.786
_database_code_amcsd             0016949
_exptl_crystal_density_diffrn    3.472
_cod_original_formula_sum        'Ca2 Al2.09 Fe.91 Si3 O13 H'
_cod_database_code               9016199
Temperature dependence of the structural parameters in the transformation of aragonite to calcite, as determined from in situ synchrotron powder X-ray-diffraction data Note: T = 434 C Note: P = 101 kPa
Antao, S. M.; Hassan, I.; The Canadian Mineralogist 48 (2010) 1225–1236; doi:10.3749/canmin.48.5.1225

data_9016200
_publ_section_title
;
 Temperature dependence of the structural parameters
 in the transformation of aragonite to calcite,
 as determined from in situ synchrotron powder X-ray-diffraction data
 Note: T = 434 C
 Note: P = 101 kPa
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1225
_journal_page_last               1236
_journal_paper_doi               10.3749/canmin.48.5.1225
_journal_volume                  48
_journal_year                    2010
_chemical_compound_source        'Cuenca, Spain'
_chemical_formula_sum            'C Ca O3'
_chemical_name_mineral           Calcite
_space_group_IT_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_length_a                   4.9757
_cell_length_b                   4.9757
_cell_length_c                   17.273
_cell_formula_units_Z            6
_cell_volume                     370.345
_database_code_amcsd             0017856
_exptl_crystal_density_diffrn    2.693
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_original_formula_sum        'Ca C O3'
_cod_database_code               9016200
Crystal Structures of Hydrated Compounds. II. Structure Type Mg(ClO4)2(H2O)6 _cod_database_code 1010115
West, C.; Zeitschrift fur Kristallographie 91 (1935) 480–493; doi:

data_9016201
_publ_section_title
;
 Crystal Structures of Hydrated Compounds. II. Structure Type Mg(ClO4)2(H2O)6
 _cod_database_code 1010115
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              480
_journal_page_last               493
_journal_volume                  91
_journal_year                    1935
_chemical_formula_sum            'Cl2 Mg O10'
_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                   7.76
_cell_length_b                   13.46
_cell_length_c                   5.26
_cell_formula_units_Z            4
_cell_volume                     549.405
_database_code_amcsd             0017045
_exptl_crystal_density_diffrn    3.085
_cod_duplicate_entry             1010115
_cod_original_formula_sum        'Mg Cl2 O10'
_cod_database_code               9016201
_amcsd_formula_title             Mg(ClO4)2(H2O)6
Synthesis and structural study of five new trisilicates, BaREE2Si3O10 (REE = Gd, Er, Yb, Sc) and SrY2Si3O10, including a review on the geometry of the Si3O10 unit
Wierzbicka-Wieczorek M; Kolitsch, U.; Tillmanns, E.; European Journal of Mineralogy 22 (2010) 245–258; doi:10.1127/0935-1221/2010/0022-1969

data_9016202
_publ_section_title
;
 Synthesis and structural study of five new trisilicates, BaREE2Si3O10
 (REE = Gd, Er, Yb, Sc) and SrY2Si3O10,
 including a review on the geometry of the Si3O10 unit
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              245
_journal_page_last               258
_journal_paper_doi               10.1127/0935-1221/2010/0022-1969
_journal_volume                  22
_journal_year                    2010
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ba Gd2 O10 Si3'
_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                 106.26
_cell_angle_gamma                90
_cell_length_a                   5.435
_cell_length_b                   12.241
_cell_length_c                   6.932
_cell_formula_units_Z            2
_cell_volume                     442.738
_database_code_amcsd             0017779
_exptl_crystal_density_diffrn    5.221
_cod_original_formula_sum        'Ba Gd2 Si3 O10'
_cod_database_code               9016202
_amcsd_formula_title             BaGd2Si3O10
Palenzonaite, berzeliite, and manganberzeliite:(As5+,V5+,Si4+)O4 tetrahedra in garnet structures
Nagashima, M.; Armbruster, T.; Mineralogical Magazine 76 (2012) 1081–1097; doi:10.1180/minmag.2012.076.5.02

data_9016203
_publ_section_title
;
 Palenzonaite, berzeliite, and manganberzeliite:(As5+,V5+,Si4+)O4 tetrahedra
 in garnet structures
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              1081
_journal_page_last               1097
_journal_paper_doi               10.1180/minmag.2012.076.5.02
_journal_volume                  76
_journal_year                    2012
_chemical_compound_source        'Gozaisho mine, Japan'
_chemical_formula_sum            'As2.889 Ca2.01 Mg0.304 Mn1.696 Na0.99 O12'
_chemical_name_mineral           Manganberzeliite
_space_group_IT_number           230
_symmetry_space_group_name_Hall  '-I 4bd 2c 3'
_symmetry_space_group_name_H-M   'I a -3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   12.4929
_cell_length_b                   12.4929
_cell_length_c                   12.4929
_cell_formula_units_Z            8
_cell_volume                     1949.799
_database_code_amcsd             0019615
_exptl_crystal_density_diffrn    4.172
_cod_original_sg_symbol_H-M      'I a 3 d'
_cod_original_formula_sum        '(Ca2.01 Na.99) (Mn1.696 Mg.304) As2.889 O12'
_cod_database_code               9016203