LMucko/crystallography-open-database huggingface dataset:
The crystal chemistry of cosalite based on new electron-microprobe data and single-crystal determination of the structure Note: Sample 6
Topa, D.; Makovicky, E.; The Canadian Mineralogist 48 (2010) 1081–1107; doi:10.3749/canmin.48.5.1081

data_9015921
_publ_section_title
;
 The crystal chemistry of cosalite based on new electron-microprobe data and
 single-crystal determination of the structure
 Note: Sample 6
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1081
_journal_page_last               1107
_journal_paper_doi               10.3749/canmin.48.5.1081
_journal_volume                  48
_journal_year                    2010
_chemical_compound_source
'Schareck, Hobe Tauern Window, Schareck-Siglitz, Gasteinertal, Austria'
_chemical_formula_sum            'Ag0.51 Bi4 Cu0.463 Pb3.446 S10'
_chemical_name_mineral           Cosalite
_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                   23.879
_cell_length_b                   4.0453
_cell_length_c                   19.017
_cell_formula_units_Z            4
_cell_volume                     1836.999
_database_code_amcsd             0017821
_exptl_crystal_density_diffrn    7.069
_cod_original_formula_sum        'Bi4 Pb3.446 Ag.51 Cu.463 S10'
_cod_database_code               9015921
Crystal chemistry of synthetic lawsonite solid-solution series CaAl2 [(OH)2/(Si2O7)](H2O)-SrAl2[(OH)2/(Si2O7)](H2O) and the Cmcm-P2_1/m phase transition Note: Run #AU76
Liebscher, A.; Dorsam, G.; Franz, G.; Wunder, B.; Gottschalk, M.; American Mineralogist 95 (2010) 724–735; doi:10.2138/am.2010.3220

data_9015922
_publ_section_title
;
 Crystal chemistry of synthetic lawsonite solid-solution series CaAl2
 [(OH)2/(Si2O7)](H2O)-SrAl2[(OH)2/(Si2O7)](H2O) and the Cmcm-P2_1/m phase transition
 Note: Run #AU76
;
_journal_name_full               'American Mineralogist'
_journal_page_first              724
_journal_page_last               735
_journal_paper_doi               10.2138/am.2010.3220
_journal_volume                  95
_journal_year                    2010
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Al2 Ca0.982 H4 O10 Si2 Sr0.018'
_chemical_name_mineral           Lawsonite
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.8422
_cell_length_b                   8.7904
_cell_length_c                   13.1344
_cell_volume                     674.521
_database_code_amcsd             0018946
_exptl_crystal_density_diffrn    3.103
_cod_original_formula_sum        '(Ca.982 Sr.018) Al2 Si2 O10 H4'
_cod_database_code               9015922
High-pressure phase transformation in LiFeGe2O6 pyroxene Note: P = 1.25 GPa
Nestola, F.; Redhammer, G. J.; Pamato, M. G.; Secco, L.; Dal Negro, A.; American Mineralogist 94 (2009) 616–621; doi:10.2138/am.2009.3052

data_9015923
_publ_section_title
;
 High-pressure phase transformation in LiFeGe2O6 pyroxene
 Note: P = 1.25 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              616
_journal_page_last               621
_journal_paper_doi               10.2138/am.2009.3052
_journal_volume                  94
_journal_year                    2009
_chemical_formula_sum            'Fe Ge2 Li O6'
_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                 108.70
_cell_angle_gamma                90
_cell_length_a                   9.843
_cell_length_b                   8.794
_cell_length_c                   5.352
_cell_formula_units_Z            4
_cell_volume                     438.810
_database_code_amcsd             0004908
_exptl_crystal_density_diffrn    4.602
_cod_original_formula_sum        'Li Fe Ge2 O6'
_cod_database_code               9015923
_amcsd_formula_title             LiFeGe2O6
A crystallographic contribution to the mechanism of a mechanically induced solid state reaction Note: milling time = 0 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_9015924
_publ_section_title
;
 A crystallographic contribution to the mechanism of a mechanically
 induced solid state reaction
 Note: milling time = 0 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                 99.3086
_cell_angle_gamma                90
_cell_length_a                   4.6832
_cell_length_b                   3.4288
_cell_length_c                   5.1297
_cell_formula_units_Z            4
_cell_volume                     81.287
_database_code_amcsd             0018813
_exptl_crystal_density_diffrn    6.500
_cod_database_code               9015924
Crystal chemistry of RE(CO3)OH
Tahara, T.; Nakai, I.; Miyawaki, R.; Matsubara, S.; Zeitschrift fur Kristallographie 222 (2007) 326–334; doi:

data_9015925
_publ_section_title
;
 Crystal chemistry of RE(CO3)OH
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              326
_journal_page_last               334
_journal_volume                  222
_journal_year                    2007
_chemical_compound_source        Synthetic
_chemical_formula_sum            'C H O4 Yb'
_space_group_IT_number           137
_symmetry_space_group_name_Hall  '-P 4ac 2a'
_symmetry_space_group_name_H-M   'P 42/n m c :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   9.3771
_cell_length_b                   9.3771
_cell_length_c                   7.7117
_cell_volume                     678.090
_database_code_amcsd             0019390
_exptl_crystal_density_diffrn    4.899
_cod_original_sg_symbol_H-M      'P 42/n m c'
_cod_original_formula_sum        'Yb C (O4 H)'
_cod_database_code               9015925
_amcsd_formula_title             Yb(CO3)OH
Crystal structures of dieuropium(II) ditantalum heptoxide, Eu2Ta2O7 and europium(II) ditantalum hexoxide, EuTa2O6
Jacobsen, H.; Lissner, F.; Manek, E.; Meyer, G.; Zeitschrift fur Kristallographie 211 (1996) 547–548; doi:

data_9015926
_publ_section_title
;
 Crystal structures of dieuropium(II) ditantalum heptoxide,
 Eu2Ta2O7 and europium(II) ditantalum hexoxide, EuTa2O6
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              547
_journal_page_last               548
_journal_volume                  211
_journal_year                    1996
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Eu O6 Ta2'
_chemical_name_mineral           Tantalaeschynite-(Eu)
_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                   11.02
_cell_length_b                   7.640
_cell_length_c                   5.610
_cell_formula_units_Z            4
_cell_volume                     472.322
_database_code_amcsd             0018933
_exptl_crystal_density_diffrn    8.576
_cod_original_formula_sum        'Eu Ta2 O6'
_cod_database_code               9015926
Die Kristallstruktur der Alkaliperrhenate und -periodate _cod_database_code 1010426
Beintema, J.; Zeitschrift fur Kristallographie 97 (1937) 300–322; doi:

data_9015927
_publ_section_title
;
 Die Kristallstruktur der Alkaliperrhenate und -periodate
 _cod_database_code 1010426
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              300
_journal_page_last               322
_journal_volume                  97
_journal_year                    1937
_chemical_formula_sum            'Cs Re'
_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                   5.737
_cell_length_b                   5.968
_cell_length_c                   14.241
_cell_formula_units_Z            4
_cell_volume                     487.589
_database_code_amcsd             0017350
_exptl_crystal_density_diffrn    4.347
_cod_duplicate_entry             1010426
_cod_database_code               9015927
_amcsd_formula_title             'Cs O4 Re'
Structural and chemical response to varying B content in zoned Fe-bearing olenite from Koralpe, Austria Sample: T4
Hughes, J. M.; Ertl, A.; Dyar, M. D.; Grew, E. S.; Wieden-beck M; Brandstatter, F.; American Mineralogist 89 (2004) 447–454; doi:

data_9015928
_publ_section_title
;
 Structural and chemical response to varying B content in zoned Fe-bearing olenite
 from Koralpe, Austria
 Sample: T4
;
_journal_name_full               'American Mineralogist'
_journal_page_first              447
_journal_page_last               454
_journal_volume                  89
_journal_year                    2004
_chemical_compound_source        'Koralpe, Austria'
_chemical_formula_sum
'Al8.061 B3.354 Be0.024 Ca0.245 Fe0.669 H3.25 Li0.225 Mg0.039 Mn0.021 Na0.545 O31 Si5.352 Ti0.012'
_chemical_name_mineral           Olenite
_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                   15.8472
_cell_length_b                   15.8472
_cell_length_c                   7.0988
_cell_volume                     1543.905
_database_code_amcsd             0003448
_exptl_crystal_density_diffrn    3.122
_cod_original_sg_symbol_H-M      'R 3 m'
_cod_original_formula_sum
'Na.545 Ca.245 Al8.061 Fe.669 Li.225 Mg.039 Mn.021 Ti.012 Si5.352 Be.024 B3.354 O31 H3.25'
_cod_database_code               9015928
Structural and thermal parameters for rutile and anatase
Howard, C. J.; Sabine, T. M.; Dickson, F.; Acta Crystallographica, Section B 47 (1991) 462–468; doi:10.1107/S010876819100335X

data_9015929
_publ_section_title
;
 Structural and thermal parameters for rutile and anatase
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              462
_journal_page_last               468
_journal_paper_doi               10.1107/S010876819100335X
_journal_volume                  47
_journal_year                    1991
_chemical_compound_source        Synthetic
_chemical_formula_sum            'O2 Ti'
_chemical_name_mineral           Anatase
_space_group_IT_number           141
_symmetry_space_group_name_Hall  'I 4bw 2bw -1bw'
_symmetry_space_group_name_H-M   'I 41/a m d :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   3.7845
_cell_length_b                   3.7845
_cell_length_c                   9.5143
_cell_volume                     136.268
_database_code_amcsd             0019093
_exptl_crystal_density_diffrn    3.894
_cod_original_sg_symbol_H-M      'I 41/a m d'
_cod_original_formula_sum        'Ti O2'
_cod_database_code               9015929
Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 750 C Annealing time = 0 min
Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.; European Journal of Mineralogy 24 (2012) 633–643; doi:10.1127/0935-1221/2012/0024-2223

data_9015930
_publ_section_title
;
 Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels
 Note Sample F54, disordered at 1000 C for 24 h, then ordered at 750 C
 Annealing time = 0 min
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              633
_journal_page_last               643
_journal_paper_doi               10.1127/0935-1221/2012/0024-2223
_journal_volume                  24
_journal_year                    2012
_chemical_formula_sum            'Al1.457 Fe0.539 Mg1.002 O4'
_chemical_name_mineral           Spinel
_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                   8.1708
_cell_length_b                   8.1708
_cell_length_c                   8.1708
_cell_formula_units_Z            8
_cell_volume                     545.499
_database_code_amcsd             0019336
_exptl_crystal_density_diffrn    3.842
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Al1.457 Mg1.002 Fe.539 O4'
_cod_database_code               9015930
Structure cristalline du tripolyphosphate acide de zinc hexahydrate, Zn2 H P3 O10 (H2 O)6
Averbuch-Pouchot, M. T.; Guitel, J. C.; Acta Crystallographica, Section B 32 (1976) 1670–1673; doi:10.1107/S0567740876006213

data_9015931
_publ_section_title
;
 Structure cristalline du tripolyphosphate acide de zinc hexahydrate,
 Zn2 H P3 O10 (H2 O)6
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              1670
_journal_page_last               1673
_journal_paper_doi               10.1107/S0567740876006213
_journal_volume                  32
_journal_year                    1976
_chemical_formula_sum            'O16 P3 Zn2'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                114.51
_cell_angle_beta                 103.21
_cell_angle_gamma                74.31
_cell_length_a                   10.714
_cell_length_b                   10.658
_cell_length_c                   8.391
_cell_formula_units_Z            2
_cell_volume                     831.906
_database_code_amcsd             0015953
_exptl_crystal_density_diffrn    1.915
_cod_duplicate_entry             1008005
_cod_original_formula_sum        'Zn2 P3 O16'
_cod_database_code               9015931
_amcsd_formula_title             'H13 O16 P3 Zn2'
High pressure synthesis of Nd Cu O3-d perovskites (0<d<0.5) _cod_database_code 1001664
Chen, B.; Walker, D.; Suard, E.; Scott, B.; Mercey, B.; Hervieu, M.; Raveau, B.; Inorganic Chemistry 34 (1995) 2077–2083; doi:10.1021/ic00112a020

data_9015932
_publ_section_title
;
 High pressure synthesis of Nd Cu O3-d perovskites (0<d<0.5)
 _cod_database_code 1001664
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2077
_journal_page_last               2083
_journal_paper_doi               10.1021/ic00112a020
_journal_volume                  34
_journal_year                    1995
_chemical_formula_sum            'Cu5 Nd5 O13'
_space_group_IT_number           10
_symmetry_space_group_name_Hall  '-P 2'
_symmetry_space_group_name_H-M   'P 1 1 2/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90.45
_cell_length_a                   8.560
_cell_length_b                   8.534
_cell_length_c                   3.777
_cell_formula_units_Z            1
_cell_volume                     275.905
_database_code_amcsd             0012712
_exptl_crystal_density_diffrn    7.505
_cod_duplicate_entry             1001664
_cod_original_formula_sum        'Nd5 Cu5 O13'
_cod_database_code               9015932
_amcsd_formula_title             'Cu Nd O2.6'
The Structure of Potassium Molybdocyanide Dihydrate. The Configuration of the Molybdenum Octocyanide Group
Hoard, J. L.; Nordsieck, H. H.; Journal of the American Chemical Society 61 (1939) 2853–2863; doi:10.1021/ja01265a083

data_9015933
_publ_section_title
;
 The Structure of Potassium Molybdocyanide Dihydrate. The Configuration
 of the Molybdenum Octocyanide Group
;
_journal_coden_ASTM              JACSAT
_journal_issue                   10
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              2853
_journal_page_last               2863
_journal_paper_doi               10.1021/ja01265a083
_journal_volume                  61
_journal_year                    1939
_chemical_formula_sum            'C8 H4 K4 Mo N8 O2'
_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                   16.55
_cell_length_b                   11.7
_cell_length_c                   8.68
_cell_formula_units_Z            4
_cell_volume                     1680.752
_exptl_crystal_density_diffrn    1.946
_cod_duplicate_entry             1010103
_cod_original_formula_sum        'K4 Mo C8 N8 O2'
_cod_database_code               9015933
The Crystal Structure of the Ammonium Halides Above and Below the Transition Temperature _cod_database_code 1010074
Bartlett, G.; Langmuir, I.; Journal of the American Chemical Society 43 (1921) 84–91; doi:10.1021/ja01434a010

data_9015934
_publ_section_title
;
 The Crystal Structure of the Ammonium Halides Above and Below the
 Transition Temperature
 _cod_database_code 1010074
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              84
_journal_page_last               91
_journal_paper_doi               10.1021/ja01434a010
_journal_volume                  43
_journal_year                    1921
_chemical_formula_sum            'Br H4 N'
_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                   6.9
_cell_length_b                   6.9
_cell_length_c                   6.9
_cell_volume                     328.509
_database_code_amcsd             0017008
_exptl_crystal_density_diffrn    1.899
_cod_duplicate_entry             1010074
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_original_formula_sum        'N Br'
_cod_database_code               9015934
_amcsd_formula_title             'Br H4 N'
Crystal structures of six new uranyl selenate and selenite compounds and their relationship with uranyl mineral structures Note: Compound 6
Wylie, E. M.; Burns, P. C.; The Canadian Mineralogist 50 (2012) 147–157; doi:10.3749/canmin.50.1.147

data_9015935
_publ_section_title
;
 Crystal structures of six new uranyl selenate and selenite compounds and
 their relationship with uranyl mineral structures
 Note: Compound 6
;
_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            'Cs2 H4 O25 Se5 U4'
_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                 90.393
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.913
_cell_length_b                   12.427
_cell_length_c                   18.448
_cell_volume                     2501.782
_database_code_amcsd             0019090
_exptl_crystal_density_diffrn    5.354
_cod_original_formula_sum        'U4 Cs2 Se5 O25 H4'
_cod_database_code               9015935
_amcsd_formula_title             U4Cs2Se5O25
Isothermal compression of face-centered cubic iron Note: gamma iron, Sample M620, P = 13.63 GPa, T = 1273 K
Nishihara, Y.; Nakajima, Y.; Akashi, A.; Tsujino, N.; Takahashi, E.; Funakoshi, K.; Higo, Y.; American Mineralogist 97 (2012) 1417–1420; doi:10.2138/am.2012.3958

data_9015936
_publ_section_title
;
 Isothermal compression of face-centered cubic iron
 Note: gamma iron, Sample M620, P = 13.63 GPa, T = 1273 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1417
_journal_page_last               1420
_journal_paper_doi               10.2138/am.2012.3958
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source        Synthetic
_chemical_formula_sum            Fe
_chemical_name_mineral           Iron
_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_length_a                   3.545
_cell_length_b                   3.545
_cell_length_c                   3.545
_cell_formula_units_Z            4
_cell_volume                     44.550
_database_code_amcsd             0019432
_exptl_crystal_density_diffrn    8.326
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_database_code               9015936
_cod_duplicate_entry 9015406
Isothermal compression of face-centered cubic iron Note: gamma iron, Sample M620, P = 15.58 GPa, T = 1273 K
Nishihara, Y.; Nakajima, Y.; Akashi, A.; Tsujino, N.; Takahashi, E.; Funakoshi, K.; Higo, Y.; American Mineralogist 97 (2012) 1417–1420; doi:10.2138/am.2012.3958

data_9015937
_publ_section_title
;
 Isothermal compression of face-centered cubic iron
 Note: gamma iron, Sample M620, P = 15.58 GPa, T = 1273 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1417
_journal_page_last               1420
_journal_paper_doi               10.2138/am.2012.3958
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source        Synthetic
_chemical_formula_sum            Fe
_chemical_name_mineral           Iron
_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_length_a                   3.533
_cell_length_b                   3.533
_cell_length_c                   3.533
_cell_formula_units_Z            4
_cell_volume                     44.099
_database_code_amcsd             0019434
_exptl_crystal_density_diffrn    8.412
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_database_code               9015937
_cod_duplicate_entry 9015258