LMucko/crystallography-open-database huggingface dataset:
Second-order P6c2-P31c transition and structural crystallography of the cyclosilicate benitoite, BaTiSi3O9, at high pressure Note: P = 1.12 GPa
Hejny, C.; Miletich, R.; Jasser, A.; Schouwink, P.; Crichton, W.; Kahlenberg, V.; American Mineralogist 97 (2012) 1749–1763; doi:10.2138/am.2012.4175

data_9014925
_publ_section_title
;
 Second-order P6c2-P31c transition and structural crystallography of
 the cyclosilicate benitoite, BaTiSi3O9, at high pressure
 Note: P = 1.12 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1749
_journal_page_last               1763
_journal_paper_doi               10.2138/am.2012.4175
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source        'San Benito, California, USA'
_chemical_formula_sum            'Ba O9 Si3 Ti'
_chemical_name_mineral           Benitoite
_space_group_IT_number           188
_symmetry_space_group_name_Hall  'P -6c 2'
_symmetry_space_group_name_H-M   'P -6 c 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   6.6094
_cell_length_b                   6.6094
_cell_length_c                   9.7239
_cell_formula_units_Z            2
_cell_volume                     367.871
_database_code_amcsd             0019507
_exptl_crystal_density_diffrn    3.733
_cod_original_formula_sum        'Ba Ti Si3 O9'
_cod_database_code               9014925
Manganoquadratite, AgMnAsS3, a new manganese-bearing sulfosalt from the Uchucchacua polymetallic deposit, Lima Department, Peru: Description and crystal structure
Bonazzi, P.; Keutsch, F. N.; Bindi, L.; American Mineralogist 97 (2012) 1199–1205; doi:10.2138/am.2012.4004

data_9014926
_publ_section_title
;
 Manganoquadratite, AgMnAsS3, a new manganese-bearing sulfosalt from the Uchucchacua
 polymetallic deposit, Lima Department, Peru: Description and crystal structure
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1199
_journal_page_last               1205
_journal_paper_doi               10.2138/am.2012.4004
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source
'Uchucchacua polymetallic deposit, Lima Department, Peru'
_chemical_formula_sum            'Ag As Mn S3'
_chemical_name_mineral           Manganoquadratite
_space_group_IT_number           95
_symmetry_space_group_name_Hall  'P 4cw 2c'
_symmetry_space_group_name_H-M   'P 43 2 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   5.4496
_cell_length_b                   5.4496
_cell_length_c                   32.949
_cell_volume                     978.524
_database_code_amcsd             0019063
_exptl_crystal_density_diffrn    4.533
_cod_original_formula_sum        'Ag Mn As S3'
_cod_database_code               9014926
Zoned REE-enriched dravite from a granitic pegmatite in Forshammar Bergslagen Province, Sweden: An EMPA, XRD and LA-ICP-MS study Sample: TSW an3 (rim)
Bacik, P.; Uher, P.; Ertl, A.; Jonsson, E.; Nysten, P.; Kanicky, V.; Vaculovic, T.; The Canadian Mineralogist 50 (2012) 825–841; doi:10.3749/canmin.50.4.825

data_9014927
_publ_section_title
;
 Zoned REE-enriched dravite from a granitic pegmatite in Forshammar Bergslagen
 Province, Sweden: An EMPA, XRD and LA-ICP-MS study
 Sample: TSW an3 (rim)
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              825
_journal_page_last               841
_journal_paper_doi               10.3749/canmin.50.4.825
_journal_volume                  50
_journal_year                    2012
_chemical_compound_source        'Forshammar Bergslagen Province, Sweden'
_chemical_formula_sum
'Al6 B3 Ca0.05 F0.038 Fe0.231 H3.42 K0.01 Mg2.769 Na0.711 O30.962 Si6'
_chemical_name_mineral           Dravite
_space_group_IT_number           160
_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                   15.921
_cell_length_b                   15.921
_cell_length_c                   7.175
_cell_volume                     1575.046
_database_code_amcsd             0019716
_exptl_crystal_density_diffrn    3.040
_cod_original_sg_symbol_H-M      'R 3 m'
_cod_original_formula_sum
'Na.711 Ca.05 K.01 (Fe.231 Mg2.769) Al6 Si6 B3 O30.962 F.038 H3.42'
_cod_database_code               9014927
The crystal structure of vladimirite, with a revised chemical formula, Ca4(AsO4)2(AsO3OH)*4H2O Note: Sample R080001
Yang, H.; Evans, S. H.; Downs, R. T.; Jenkins, R. A.; The Canadian Mineralogist 49 (2011) 1055–1064; doi:10.3749/canmin.49.4.1055

data_9014928
_publ_section_title
;
 The crystal structure of vladimirite, with a revised chemical formula,
 Ca4(AsO4)2(AsO3OH)*4H2O
 Note: Sample R080001
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1055
_journal_page_last               1064
_journal_paper_doi               10.3749/canmin.49.4.1055
_journal_volume                  49
_journal_year                    2011
_chemical_compound_source        'Corbriza mine, Copiapo, Chile'
_chemical_formula_sum            'As3 Ca4 H9 O16'
_chemical_name_mineral           Vladimirite
_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                 96.902
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.8220
_cell_length_b                   10.1750
_cell_length_c                   22.8816
_cell_volume                     1345.657
_database_code_amcsd             0018559
_exptl_crystal_density_diffrn    3.209
_cod_original_formula_sum        'Ca4 As3 O16 H9'
_cod_database_code               9014928
In situ dehydration behavior of zeolite-like cavansite: A single-crystal X-ray study Note: T = 75 C
Danisi, R. M.; Armbruster, T.; Lazic, B.; American Mineralogist 97 (2012) 1874–1880; doi:10.2138/am.2012.4228

data_9014929
_publ_section_title
;
 In situ dehydration behavior of zeolite-like cavansite: A single-crystal X-ray study
 Note: T = 75 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1874
_journal_page_last               1880
_journal_paper_doi               10.2138/am.2012.4228
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source        'Wagholi quarry, Poona district, India'
_chemical_formula_sum            'Ca O14.249 Si4 V'
_chemical_name_mineral           Cavansite
_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                   9.60900
_cell_length_b                   13.6833
_cell_length_c                   9.7559
_cell_formula_units_Z            4
_cell_volume                     1282.733
_database_code_amcsd             0019719
_exptl_crystal_density_diffrn    2.234
_cod_original_formula_sum        'V Ca Si4 O14.249'
_cod_database_code               9014929
Fluornatromicrolite, (Na,Ca,Bi)2Ta2O6F, a new mineral species from Quixaba, Paraiba, Brazil
Witzke, T.; Steins, M.; Doering, T.; Schuckmann, W.; Wegner, R.; Pollmann, H.; The Canadian Mineralogist 49 (2011) 1105–1110; doi:10.3749/canmin.49.4.1105

data_9014930
_publ_section_title
;
 Fluornatromicrolite, (Na,Ca,Bi)2Ta2O6F, a new mineral species
 from Quixaba, Paraiba, Brazil
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1105
_journal_page_last               1110
_journal_paper_doi               10.3749/canmin.49.4.1105
_journal_volume                  49
_journal_year                    2011
_chemical_compound_source        'Quixaba, Paraiba, Brazil'
_chemical_formula_sum            'Bi0.15 Ca0.65 F Na1.11 O6 Ta2'
_chemical_name_mineral           Fluornatromicrolite
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.4451
_cell_length_b                   10.4451
_cell_length_c                   10.4451
_cell_formula_units_Z            8
_cell_volume                     1139.562
_database_code_amcsd             0018616
_exptl_crystal_density_diffrn    6.526
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Na1.11 Ca.65 Bi.15 Ta2 O6 F'
_cod_database_code               9014930
Effenbergerite, BaCu[Si4O10], a new mineral from the Kalahari Manganese Field, South Africa: description and crystal structure
Giester, G.; Rieck, B.; Mineralogical Magazine 58 (1994) 663–670; doi:10.1180/minmag.1994.058.393.17

data_9014931
_publ_section_title
;
 Effenbergerite, BaCu[Si4O10], a new mineral from the Kalahari Manganese Field,
 South Africa: description and crystal structure
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              663
_journal_page_last               670
_journal_paper_doi               10.1180/minmag.1994.058.393.17
_journal_volume                  58
_journal_year                    1994
_chemical_compound_source
'Wessels mine, Kalahari Manganese Field, South Africa'
_chemical_formula_sum            'Ba Cu O10 Si4'
_chemical_name_mineral           Effenbergerite
_space_group_IT_number           130
_symmetry_space_group_name_Hall  '-P 4a 2ac'
_symmetry_space_group_name_H-M   'P 4/n c c :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.442
_cell_length_b                   7.442
_cell_length_c                   16.133
_cell_formula_units_Z            4
_cell_volume                     893.500
_database_code_amcsd             0018763
_exptl_crystal_density_diffrn    3.518
_cod_original_sg_symbol_H-M      'P 4/n c c'
_cod_original_formula_sum        'Cu Ba Si4 O10'
_cod_database_code               9014931
Structure of an ammonium molybdenyl diphosphate (N H4)2 Mo O2 P2 O7 _cod_database_code 1008370
Averbuch-Pouchot M; Acta Crystallographica, Section C 44 (1988) 2046–2048; doi:10.1107/S0108270188008509

data_9014932
_publ_section_title
;
 Structure of an ammonium molybdenyl diphosphate (N H4)2 Mo O2 P2 O7
 _cod_database_code 1008370
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              2046
_journal_page_last               2048
_journal_paper_doi               10.1107/S0108270188008509
_journal_volume                  44
_journal_year                    1988
_chemical_formula_sum            'Mo N2 O9 P2'
_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                 99.11
_cell_angle_gamma                90
_cell_length_a                   13.984
_cell_length_b                   8.297
_cell_length_c                   15.81
_cell_formula_units_Z            8
_cell_volume                     1811.221
_database_code_amcsd             0016280
_exptl_crystal_density_diffrn    2.420
_cod_duplicate_entry             1008370
_cod_original_formula_sum        'Mo P2 O9 N2'
_cod_database_code               9014932
_amcsd_formula_title             'H8 Mo N2 O9 P2'
Advances in data reduction of high-pressure X-ray powder diffraction data from two-dimensional detectors: a case study of schafarzikite (FeSb2O4) Note: P = 10.5 GPa, this is denoted as Phase III
Hinrichsen, B.; Dinnebier, R. E.; Rajiv, P.; Hanfland, M.; Grzechnik, A.; Jansen, M.; Journal of Physics: Condensed Matter 18 (2006) S1021–S1037; doi:10.1088/0953-8984/18/25/S09

data_9014933
_publ_section_title
;
 Advances in data reduction of high-pressure X-ray powder diffraction data from
 two-dimensional detectors: a case study of schafarzikite (FeSb2O4)
 Note: P = 10.5 GPa, this is denoted as Phase III
;
_journal_name_full               'Journal of Physics: Condensed Matter'
_journal_page_first              S1021
_journal_page_last               S1037
_journal_paper_doi               10.1088/0953-8984/18/25/S09
_journal_volume                  18
_journal_year                    2006
_chemical_formula_sum            'Fe O4 Sb2'
_chemical_name_mineral           Schafarzikite
_space_group_IT_number           84
_symmetry_space_group_name_Hall  '-P 4c'
_symmetry_space_group_name_H-M   'P 42/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.8498
_cell_length_b                   7.8498
_cell_length_c                   5.7452
_cell_formula_units_Z            4
_cell_volume                     354.016
_database_code_amcsd             0018890
_exptl_crystal_density_diffrn    6.817
_cod_original_formula_sum        'Fe Sb2 O4'
_cod_database_code               9014933
A crystallographic contribution to the mechanism of a mechanically induced solid state reaction Note: milling time = 34 min
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_9014934
_publ_section_title
;
 A crystallographic contribution to the mechanism of a mechanically
 induced solid state reaction
 Note: milling time = 34 min
;
_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                 98.5625
_cell_angle_gamma                90
_cell_length_a                   4.6732
_cell_length_b                   3.4770
_cell_length_c                   5.1190
_cell_formula_units_Z            4
_cell_volume                     82.250
_database_code_amcsd             0018818
_exptl_crystal_density_diffrn    6.424
_cod_database_code               9014934
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 = 359 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_9014935
_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 = 359 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           Aragonite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2n 2a'
_symmetry_space_group_name_H-M   'P m c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.9713
_cell_length_b                   8.0311
_cell_length_c                   5.8141
_cell_formula_units_Z            4
_cell_volume                     232.128
_database_code_amcsd             0017842
_exptl_crystal_density_diffrn    2.864
_cod_original_formula_sum        'Ca C O3'
_cod_database_code               9014935
Sali complessi contenenti atomi o gruppi coordinati di specie diversa. Complessi a numero di coordinazione 6.-I. I sali (N H4)2 (V F5(H2 O)), (Rb2 (V F5 (H2 O)), Tl2 (Cr F5 (H2 O)) _cod_database_code 1010140
Pirani, R.; Gazzetta Chimica Italiana 62 (1932) 380–387; doi:

data_9014936
_publ_section_title
;
 Sali complessi contenenti atomi o gruppi coordinati di specie diversa.
 Complessi a numero di coordinazione 6.-I. I sali (N H4)2 (V F5(H2 O)),
 (Rb2 (V F5 (H2 O)), Tl2 (Cr F5 (H2 O))
 _cod_database_code 1010140
;
_journal_name_full               'Gazzetta Chimica Italiana'
_journal_page_first              380
_journal_page_last               387
_journal_volume                  62
_journal_year                    1932
_chemical_formula_sum            'F4.98 O1.02 Rb2 V'
_space_group_IT_number           202
_symmetry_space_group_name_Hall  '-F 2 2 3'
_symmetry_space_group_name_H-M   'F m -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.42
_cell_length_b                   8.42
_cell_length_c                   8.42
_cell_formula_units_Z            4
_cell_volume                     596.948
_database_code_amcsd             0017070
_exptl_crystal_density_diffrn    3.703
_cod_duplicate_entry             1010140
_cod_original_sg_symbol_H-M      'F m 3'
_cod_original_formula_sum        'Rb2 V (F4.98 O1.02)'
_cod_database_code               9014936
_amcsd_formula_title             'F5 H2 O Rb2 V'
The Crystal Structure of 3T Muscovite
Güven, N.; Burnham, C. W.; Carnegie Institution of Washington: Yearbook 65 (1966) 290–293; doi:

data_9014937
_publ_section_title              'The Crystal Structure of 3T Muscovite'
_journal_name_full
'Carnegie Institution of Washington: Yearbook'
_journal_page_first              290
_journal_page_last               293
_journal_volume                  65
_journal_year                    1966
_chemical_formula_sum            'Al3 K O12 Si3'
_chemical_name_mineral           Muscovite
_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                     700.840(13)
_database_code_amcsd             0018221
_exptl_crystal_density_diffrn    2.817
_cod_duplicate_entry             1100014
_cod_original_formula_sum        'K Al3 Si3 O12'
_cod_database_code               9014937
Browneite, MnS, a new sphalerite-group mineral from the Zaklodzie meteorite
Ma, C.; Beckett, J. R.; Rossman, G. R.; American Mineralogist 97 (2012) 2056–2059; doi:10.2138/am.2012.4286

data_9014938
_publ_section_title
;
 Browneite, MnS, a new sphalerite-group mineral from the Zaklodzie meteorite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              2056
_journal_page_last               2059
_journal_paper_doi               10.2138/am.2012.4286
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source        'Zaklodzie meteorite'
_chemical_formula_sum            'Ca0.002 Fe0.01 Mn0.993 S'
_chemical_name_mineral           Browneite
_space_group_IT_number           216
_symmetry_space_group_name_Hall  'F -4 2 3'
_symmetry_space_group_name_H-M   'F -4 3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.601
_cell_length_b                   5.601
_cell_length_c                   5.601
_cell_formula_units_Z            4
_cell_volume                     175.710
_database_code_amcsd             0019735
_exptl_crystal_density_diffrn    3.299
_cod_original_formula_sum        'Mn.993 Fe.01 Ca.002 S'
_cod_database_code               9014938
Arrojadite: variations in space group and composition based on four new refinements Sample: red06ye
Steele, I. M.; General Meeting of the International Mineralogical Association 18 (2002) MO2–117; doi:

data_9014939
_publ_section_title
;
 Arrojadite: variations in space group and composition
 based on four new refinements
 Sample: red06ye
;
_journal_name_full
'General Meeting of the International Mineralogical Association'
_journal_page_first              MO2
_journal_page_last               117
_journal_volume                  18
_journal_year                    2002
_chemical_compound_source        'Rapid Creek, Yukon, Canada'
_chemical_formula_sum
'Al Ca0.984 Fe10.54 K0.902 Mg2.46 Na4.858 O50 P12'
_chemical_name_mineral           Arrojadite-(KNa)
_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                90.00
_cell_angle_beta                 106.55
_cell_angle_gamma                90.00
_cell_length_a                   16.549
_cell_length_b                   10.053
_cell_length_c                   24.618
_cell_formula_units_Z            4
_cell_volume                     3925.950
_database_code_amcsd             0012657
_exptl_crystal_density_diffrn    3.440
_cod_original_cell_volume        3925.949
_cod_original_sg_symbol_H-M      'C c'
_cod_original_formula_sum
'Al Ca.984 K.902 Na4.858 (Fe10.54 Mg2.46) P12 O50'
_cod_database_code               9014939
Magnetisme - Etude par diffraction des neutrons du compose spinelle MnV2O4
Plumier, R.; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 255 (1962) 2244–2246; doi:

data_9014940
_publ_section_title
;
 Magnetisme - Etude par diffraction des neutrons du compose spinelle MnV2O4
;
_journal_name_full
'Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences'
_journal_page_first              2244
_journal_page_last               2246
_journal_volume                  255
_journal_year                    1962
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Mn O4 V2'
_chemical_name_mineral           Vuorelainenite
_space_group_IT_number           227
_symmetry_space_group_name_Hall  'F 4d 2 3 -1d'
_symmetry_space_group_name_H-M   'F d -3 m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.52
_cell_length_b                   8.52
_cell_length_c                   8.52
_cell_formula_units_Z            8
_cell_volume                     618.470
_database_code_amcsd             0019145
_exptl_crystal_density_diffrn    4.743
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Mn V2 O4'
_cod_database_code               9014940