LMucko/crystallography-open-database huggingface dataset:
Crystal chemistry of elpidite from Kahn Bogdo (Mongolia) and its K- and Rb-exchanged forms Note: Rb-exchanged at 150 deg C
Grigor'eva, A. A.; Zubkova, N. V.; Pekov, I. V.; Kolitsch, U.; Pushcharovsky, D. Y.; Vigasina, M. F.; Giester, G.; Dordevic, T.; Tillmanns, E.; Chukanov, N. V.; Crystallography Reports 56 (2011) 832–841; doi:10.1134/S1063774511050117

data_9016054
_publ_section_title
;
 Crystal chemistry of elpidite from Kahn Bogdo (Mongolia)
 and its K- and Rb-exchanged forms
 Note: Rb-exchanged at 150 deg C
;
_journal_name_full               'Crystallography Reports'
_journal_page_first              832
_journal_page_last               841
_journal_paper_doi               10.1134/S1063774511050117
_journal_volume                  56
_journal_year                    2011
_chemical_compound_source        'Kahn Bogdo, Mongolia'
_chemical_formula_sum            'H1.816 Na0.06 O15.908 Rb1.769 Si6 Zr'
_chemical_name_mineral           Elpidite-Rb
_space_group_IT_number           64
_symmetry_space_group_name_Hall  '-C 2ac 2'
_symmetry_space_group_name_H-M   'C m c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   14.2999
_cell_length_b                   14.4408
_cell_length_c                   14.7690
_cell_volume                     3049.828
_database_code_amcsd             0018524
_exptl_crystal_density_diffrn    2.913
_cod_original_formula_sum        'Rb1.769 Na.06 Zr Si6 O15.908 H1.816'
_cod_database_code               9016054
Darstellung und Kristallstruktur von Lithiumhydroxyd
Ernst, T.; Zeitschrift für Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie 20 (1933) 65–88; doi:

data_9016055
_publ_section_title
;
 Darstellung und Kristallstruktur von Lithiumhydroxyd
;
_journal_coden_ASTM              ZPCBAL
_journal_name_full
;
Zeitschrift f\"ur Physikalische Chemie, Abteilung B: Chemie der
Elementarprozesse, Aufbau der Materie
;
_journal_page_first              65
_journal_page_last               88
_journal_volume                  20
_journal_year                    1933
_chemical_formula_sum            'Li O'
_chemical_name_systematic        'Lithium hydroxide'
_space_group_IT_number           129
_symmetry_space_group_name_Hall  'P 4ab 2ab -1ab'
_symmetry_space_group_name_H-M   'P 4/n m m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.549(4)
_cell_length_b                   3.549(4)
_cell_length_c                   4.334(8)
_cell_volume                     54.588
_database_code_amcsd             0017227
_exptl_crystal_density_diffrn    1.396
_cod_duplicate_entry             1010301
_cod_original_sg_symbol_H-M      'P 4/n m m'
_cod_database_code               9016055
_amcsd_formula_title             'H Li O'
The structure and Bijvoet ratios of cadmium selenide
Freeman, D. K.; Mair, S. L.; Barnea, Z.; Acta Crystallographica, Section A 33 (1977) 355–359; doi:10.1107/S0567739477000977

data_9016056
_publ_section_title
;
 The structure and Bijvoet ratios of cadmium selenide
;
_journal_name_full               'Acta Crystallographica, Section A'
_journal_page_first              355
_journal_page_last               359
_journal_paper_doi               10.1107/S0567739477000977
_journal_volume                  33
_journal_year                    1977
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Cd Se'
_chemical_name_mineral           Cadmoselite
_space_group_IT_number           186
_symmetry_space_group_name_Hall  'P 6c -2c'
_symmetry_space_group_name_H-M   'P 63 m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   4.299
_cell_length_b                   4.299
_cell_length_c                   7.010
_cell_formula_units_Z            2
_cell_volume                     112.198
_database_code_amcsd             0019175
_exptl_crystal_density_diffrn    5.665
_cod_database_code               9016056
CuO: x-ray single-crystal structure determination at 196 K and room temperature Note: T = 196 K
Asbrink, S.; Waskowska, A.; Journal of Physics: Condensed Matter 3 (1991) 8173–8180; doi:10.1088/0953-8984/3/42/012

data_9016057
_publ_section_title
;
 CuO: x-ray single-crystal structure determination at 196 K and room temperature
 Note: T = 196 K
;
_journal_name_full               'Journal of Physics: Condensed Matter'
_journal_page_first              8173
_journal_page_last               8180
_journal_paper_doi               10.1088/0953-8984/3/42/012
_journal_volume                  3
_journal_year                    1991
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Cu O'
_chemical_name_mineral           Tenorite
_space_group_IT_number           9
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 99.653
_cell_angle_gamma                90
_cell_length_a                   4.6893
_cell_length_b                   3.4268
_cell_length_c                   5.1321
_cell_formula_units_Z            4
_cell_volume                     81.302
_database_code_amcsd             0018823
_exptl_crystal_density_diffrn    6.499
_cod_database_code               9016057
Synthesis and structure of [Zn~8~(HPO~4~)~8~(H~2~PO~4~)~8~] · [(C~2~H~8~N)~8~] · 4H~2~O
Reinert, P.; Zabukovec Logar, N.; Patarin, J.; Kaucic, V.; European Journal of Solid State and Inorganic Chemistry 35 (1998) 373–387; doi:10.1016/S0992-4361(98)80433-5

data_9016058
_publ_section_title
;
 Synthesis and structure of
 [Zn~8~(HPO~4~)~8~(H~2~PO~4~)~8~] &#x00B7; [(C~2~H~8~N)~8~] &#x00B7; 4H~2~O
;
_journal_coden_ASTM              EJSCE5
_journal_issue                   4-5
_journal_name_full
;
 European Journal of Solid State and Inorganic Chemistry
;
_journal_page_first              373
_journal_page_last               387
_journal_paper_doi               10.1016/S0992-4361(98)80433-5
_journal_volume                  35
_journal_year                    1998
_chemical_formula_sum            'C16 H96 N8 O68 P16 Zn8'
_space_group_IT_number           9
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 98.793
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   12.6450
_cell_length_b                   10.8477
_cell_length_c                   14.6311
_cell_volume                     1983.348
_exptl_crystal_density_diffrn    2.039
_cod_duplicate_entry             1004025
_cod_original_cell_volume        1983.349
_cod_original_formula_sum        'Zn P2 O8 N C2 H11'
_cod_database_code               9016058
Etude de quelques derives de l'oxyde ferrique (Fe O . O H, Fe O2 Na, Fe O Cl) determination de leurs structures.
Goldsztaub, M.; Bulletin de la Societe Francaise de Mineralogie 58 (1935) 6–76; doi:

data_9016059
_publ_section_title
;
 Etude de quelques derives de l'oxyde ferrique (Fe O . O H, Fe O2 Na, Fe
 O Cl) determination de leurs structures.
;
_journal_name_full
'Bulletin de la Societe Francaise de Mineralogie'
_journal_page_first              6
_journal_page_last               76
_journal_volume                  58
_journal_year                    1935
_chemical_formula_sum            'Fe O2'
_chemical_name_mineral           Goethite
_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                   4.64
_cell_length_b                   10.
_cell_length_c                   3.03
_cell_formula_units_Z            4
_cell_volume                     140.592
_database_code_amcsd             0017983
_exptl_crystal_density_diffrn    4.150
_cod_duplicate_entry             1011087
_cod_original_formula_sum        'O2 Fe'
_cod_database_code               9016059
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L1, disordered model
Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S.; The Canadian Mineralogist 49 (2011) 63–88; doi:10.3749/canmin.49.1.63

data_9016060
_publ_section_title
;
 Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar.
 I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy
 Sample: L1, disordered model
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              63
_journal_page_last               88
_journal_paper_doi               10.3749/canmin.49.1.63
_journal_volume                  49
_journal_year                    2011
_chemical_compound_source        'Anjanabonoina, central Madagascar'
_chemical_formula_sum
'Al7.239 B3 Ca0.487 F0.708 Fe0.111 H3.291 Li1.287 Mn0.363 Na0.435 O30.291 Pb0.022 Si6 Ti0.003'
_chemical_name_mineral           Fluor-liddicoatite
_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_length_a                   15.8636
_cell_length_b                   15.8636
_cell_length_c                   7.1119
_cell_formula_units_Z            3
_cell_volume                     1549.957
_database_code_amcsd             0018407
_exptl_crystal_density_diffrn    3.108
_cod_original_sg_symbol_H-M      'R 3 m'
_cod_original_formula_sum
'Ca.487 Na.435 Pb.022 Ti.003 Al7.239 Fe.111 Mn.363 Li1.287 Si6 B3 F.708 O30.291 H3.291'
_cod_database_code               9016060
Lead-tellurium oxysalts from Otto Mountain near Baker, California: II. Housleyite, Pb6CuTe4O18(OH)2, a new mineral with Cu-Te octahedral sheets
Kampf, A. R.; Marty, J.; Thorne, B.; American Mineralogist 95 (2010) 1337–1342; doi:10.2138/am.2010.3511

data_9016061
_publ_section_title
;
 Lead-tellurium oxysalts from Otto Mountain near Baker, California:
 II. Housleyite, Pb6CuTe4O18(OH)2, a new mineral with Cu-Te octahedral sheets
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1337
_journal_page_last               1342
_journal_paper_doi               10.2138/am.2010.3511
_journal_volume                  95
_journal_year                    2010
_chemical_compound_source        'Otto Mountain, Baker, California, USA'
_chemical_formula_sum            'Cu H2 O20 Pb6 Te4'
_chemical_name_mineral           Housleyite
_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                 95.547
_cell_angle_gamma                90
_cell_length_a                   7.8552
_cell_length_b                   10.4836
_cell_length_c                   11.0426
_cell_formula_units_Z            2
_cell_volume                     905.108
_database_code_amcsd             0017559
_exptl_crystal_density_diffrn    7.849
_cod_original_formula_sum        'Pb6 Cu Te4 O20 H2'
_cod_database_code               9016061
Structures of Mercury Dichloride - Dipotassium Dichromate (1/1), Hg Cl2 K2 Cr2 O7, and Mercury Dichloride - Diammonium Dichromate (1/1), Hg Cl2 ((N H4)2 Cr2 O7) _cod_database_code 1008241
Averbuch-Pouchot M; El-Horr N; Guitel, J.; Acta Crystallographica, Section C 40 (1984) 725–728; doi:10.1107/S0108270184005497

data_9016062
_publ_section_title
;
 Structures of Mercury Dichloride - Dipotassium Dichromate (1/1),
 Hg Cl2 K2 Cr2 O7, and Mercury Dichloride - Diammonium Dichromate
 (1/1), Hg Cl2 ((N H4)2 Cr2 O7)
 _cod_database_code 1008241
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              725
_journal_page_last               728
_journal_paper_doi               10.1107/S0108270184005497
_journal_volume                  40
_journal_year                    1984
_chemical_formula_sum            'Cl2 Cr2 Hg N2 O7'
_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                 96.02
_cell_angle_gamma                90
_cell_length_a                   14.891
_cell_length_b                   7.604
_cell_length_c                   9.620
_cell_formula_units_Z            4
_cell_volume                     1083.277
_database_code_amcsd             0016163
_exptl_crystal_density_diffrn    3.161
_cod_duplicate_entry             1008241
_cod_original_formula_sum        'Hg Cr2 Cl2 O7 N2'
_cod_database_code               9016062
_amcsd_formula_title             'Cl2 Cr2 H8 Hg N2 O7'
The crystal chemistry and crystal structure of kuksite, Pb3Zn3Te6+P2O14, and a note on the crystal structure of yafsoanite, (Ca,Pb)3Zn(TeO6)2
Mills, S. J.; Kampf, A. R.; Kolitsch, U.; Housley, R. M.; Raudsepp, M.; American Mineralogist 95 (2010) 933–938; doi:10.2138/am.2010.3483

data_9016063
_publ_section_title
;
 The crystal chemistry and crystal structure of kuksite, Pb3Zn3Te6+P2O14,
 and a note on the crystal structure of yafsoanite, (Ca,Pb)3Zn(TeO6)2
;
_journal_name_full               'American Mineralogist'
_journal_page_first              933
_journal_page_last               938
_journal_paper_doi               10.2138/am.2010.3483
_journal_volume                  95
_journal_year                    2010
_chemical_compound_source
'Blue Bell claims, Baker, San Bernardino County, California, USA'
_chemical_formula_sum            'As0.66 O14 P1.34 Pb3 Te Zn3'
_chemical_name_mineral           Kuksite
_space_group_IT_number           150
_symmetry_space_group_name_Hall  'P 3 2"'
_symmetry_space_group_name_H-M   'P 3 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   8.3942
_cell_length_b                   8.3942
_cell_length_c                   5.1847
_cell_formula_units_Z            1
_cell_volume                     316.383
_database_code_amcsd             0005048
_exptl_crystal_density_diffrn    6.615
_cod_original_formula_sum        'Pb3 Te Zn3 (P1.34 As.66) O14'
_cod_database_code               9016063
Nouveaux chalcogenures et chalcohalogenures a clusters tetraedriques Nb4 ou Ta4 _cod_database_code 1008284
Ben Yaich, H.; Jegaden, J.; Potel, M.; Sergent, M.; Rastogi, A.; Tournier, R.; Journal of the Less-Common Metals 102 (1984) 9–22; doi:10.1016/0022-5088(84)90384-9

data_9016064
_publ_section_title
;
 Nouveaux chalcogenures et chalcohalogenures a clusters tetraedriques
 Nb4 ou Ta4
 _cod_database_code 1008284
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              9
_journal_page_last               22
_journal_paper_doi               10.1016/0022-5088(84)90384-9
_journal_volume                  102
_journal_year                    1984
_chemical_formula_sum            'I Nb Se'
_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                   10.76
_cell_length_b                   10.76
_cell_length_c                   10.76
_cell_formula_units_Z            16
_cell_volume                     1245.767
_database_code_amcsd             0016206
_exptl_crystal_density_diffrn    6.372
_cod_duplicate_entry             1008284
_cod_original_formula_sum        'Nb Se I'
_cod_database_code               9016064
_amcsd_formula_title             'I4 Nb4 Se4'
Miscibilita fra gli ossidi salini di ferro e di manganese _cod_database_code 1010370
Montoro, V.; Gazzetta Chimica Italiana 68 (1938) 728–733; doi:

data_9016065
_publ_section_title
;
 Miscibilita fra gli ossidi salini di ferro e di manganese
 _cod_database_code 1010370
;
_journal_name_full               'Gazzetta Chimica Italiana'
_journal_page_first              728
_journal_page_last               733
_journal_volume                  68
_journal_year                    1938
_chemical_formula_sum            'Fe1.5 Mn1.5 O4'
_chemical_name_mineral           Jacobsite
_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                   8.501
_cell_length_b                   8.501
_cell_length_c                   8.501
_cell_formula_units_Z            8
_cell_volume                     614.342
_database_code_amcsd             0017296
_exptl_crystal_density_diffrn    4.977
_cod_duplicate_entry             1010370
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_database_code               9016065
The crystalline structure of synthetic Fe3±arrojadites with the idealized formula K2Na5Fe2+14Fe3+(PO4)12(OH)2 Note: the number of errors and/or typos in this paper is large
Yakubovich, O. V.; Matviyenko, Y. N.; Simonov, M. A.; Melnikov, O. K.; Vestnik Moskovskogo Universiteta Geologiya 41 (1986) 36–47; doi:

data_9016066
_publ_section_title
;
 The crystalline structure of synthetic Fe3+-arrojadites with
 the idealized formula K2Na5Fe2+14Fe3+(PO4)12(OH)2
 Note: the number of errors and/or typos in this paper is large
;
_journal_name_full               'Vestnik Moskovskogo Universiteta Geologiya'
_journal_page_first              36
_journal_page_last               47
_journal_volume                  41
_journal_year                    1986
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Fe15.18 H0.5 K1.72 Na4.42 O50 P12'
_chemical_name_mineral           Arrojadite
_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                 105.75
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   16.53
_cell_length_b                   10.084
_cell_length_c                   24.64
_cell_volume                     3953.001
_database_code_amcsd             0015708
_exptl_crystal_density_diffrn    3.678
_cod_original_formula_sum        'Fe15.18 P12 Na4.42 K1.72 O50 H.5'
_cod_database_code               9016066
High-pressure phase transformation in LiFeGe2O6 pyroxene Note: P = 6.48 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_9016067
_publ_section_title
;
 High-pressure phase transformation in LiFeGe2O6 pyroxene
 Note: P = 6.48 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           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                 101.19
_cell_angle_gamma                90
_cell_length_a                   9.448
_cell_length_b                   8.670
_cell_length_c                   5.101
_cell_formula_units_Z            4
_cell_volume                     409.901
_database_code_amcsd             0004913
_exptl_crystal_density_diffrn    4.926
_cod_original_cell_volume        409.900
_cod_original_formula_sum        'Li Fe Ge2 O6'
_cod_database_code               9016067
_amcsd_formula_title             LiFeGe2O6
Elastic behavior of zeolite boggsite in silicon oil and aqueous medium: A case of high-pressure-induced over hydration, Sample: P = 2.5 GPa Note: assignment of site chemistry does not match chemical analysis
Arletti, R.; Quartieri, S.; Vezzalini, G.; American Mineralogist 95 (2010) 1247–1256; doi:10.2138/am.2010.3482

data_9016068
_publ_section_title
;
 Elastic behavior of zeolite boggsite in silicon oil and aqueous medium:
 A case of high-pressure-induced over hydration,
 Sample: P = 2.5 GPa
 Note: assignment of site chemistry does not match chemical analysis
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1247
_journal_page_last               1256
_journal_paper_doi               10.2138/am.2010.3482
_journal_volume                  95
_journal_year                    2010
_chemical_formula_sum            'Ca3.46 O69.98 Si24'
_chemical_name_mineral           Boggsite
_space_group_IT_number           74
_symmetry_space_group_name_Hall  '-I 2b 2'
_symmetry_space_group_name_H-M   'I m m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   20.082
_cell_length_b                   23.613
_cell_length_c                   12.709
_cell_volume                     6026.560
_database_code_amcsd             0017093
_exptl_crystal_density_diffrn    2.130
_cod_original_cell_volume        6026.561
_cod_original_formula_sum        'Si24 O69.98 Ca3.46'
_cod_database_code               9016068
_cell_formula_units_Z 4
The effect of oxo-component on the high-pressure behavior of amphiboles Sample: DL5 P = 5.42 GPa
Comopdi, P.; Boffa Ballaran, T.; Zanazzi, P. F.; Capalbo, C.; Zanetti, A.; Nazzareni, S.; American Mineralogist 95 (2010) 1042–1051; doi:10.2138/am.2010.3429

data_9016069
_publ_section_title
;
 The effect of oxo-component on the high-pressure behavior of amphiboles
 Sample: DL5 P = 5.42 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1042
_journal_page_last               1051
_journal_paper_doi               10.2138/am.2010.3429
_journal_volume                  95
_journal_year                    2010
_chemical_compound_source
'an alkaline basalt of Deadman Lake Volcanic Area, USA'
_chemical_formula_sum            'Ca1.88 Fe1.91 H2 K0.54 Mg3.19 O24 Si8'
_chemical_name_mineral           Kaersutite
_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                90.00
_cell_angle_beta                 105.94
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   9.685
_cell_length_b                   17.794
_cell_length_c                   5.242
_cell_volume                     868.644
_database_code_amcsd             0005071
_exptl_crystal_density_diffrn    3.408
_cod_original_sg_symbol_H-M      'C 2/m'
_cod_original_formula_sum        'Si8 Mg3.19 Fe1.91 Ca1.88 K.54 O24 H2'
_cod_database_code               9016069