LMucko/crystallography-open-database huggingface dataset:
Synthese et Structure d'un Niobate de Cesium non Stoechiometrique, Cs3 Nb5.96 O16.4 _cod_database_code 1001255
Saine, M.; Gasperin, M.; Acta Crystallographica, Section C 39 (1983) 1153–1156; doi:10.1107/S0108270183007738

data_9014263
_publ_section_title
;
 Synthese et Structure d'un Niobate de Cesium non Stoechiometrique,
 Cs3 Nb5.96 O16.4
 _cod_database_code 1001255
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              1153
_journal_page_last               1156
_journal_paper_doi               10.1107/S0108270183007738
_journal_volume                  39
_journal_year                    1983
_chemical_formula_sum            'Cs6 Nb11.92 O32.8'
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-A 2 2a'
_symmetry_space_group_name_H-M   'A m a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   18.315
_cell_length_b                   24.506
_cell_length_c                   7.296
_cell_formula_units_Z            4
_cell_volume                     3274.645
_database_code_amcsd             0009983
_exptl_crystal_density_diffrn    4.928
_cod_duplicate_entry             1001255
_cod_original_formula_sum        'Nb11.92 Cs6 O32.8'
_cod_database_code               9014263
_amcsd_formula_title             'Cs3 Nb5.96 O16.4'
Structure refinement of GeO2 polymorphs at high pressures and temperatures by energy-dispersive spectra of powder diffraction Note: P = 3.55 GPa T = 293 K Note: quartz structure
Yamanaka, T.; Ogata, K.; Journal of Applied Crystallography 24 (1991) 111–118; doi:10.1107/S0021889890011153

data_9014264
_publ_section_title
;
 Structure refinement of GeO2 polymorphs at high pressures and
 temperatures by energy-dispersive spectra of powder diffraction
 Note: P = 3.55 GPa T = 293 K
 Note: quartz structure
;
_journal_name_full               'Journal of Applied Crystallography'
_journal_page_first              111
_journal_page_last               118
_journal_paper_doi               10.1107/S0021889890011153
_journal_volume                  24
_journal_year                    1991
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ge O2'
_symmetry_space_group_name_H-M   'P 32 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   4.8546
_cell_length_b                   4.8546
_cell_length_c                   5.5943
_cell_formula_units_Z            3
_cell_volume                     114.178
_database_code_amcsd             0019058
_exptl_crystal_density_diffrn    4.564
_cod_database_code               9014264
_amcsd_formula_title             GeO2
The crystal structure of lautite and of sinnerite, a new mineral from the Lengenbach Quarry
Marumo, F.; Nowacki, W.; Schweizerische Mineralogische und Petrographische Mitteilungen 44 (1964) 439–454; doi:

data_9014265
_publ_section_title
;
 The crystal structure of lautite and of sinnerite,
 a new mineral from the Lengenbach Quarry
;
_journal_name_full
'Schweizerische Mineralogische und Petrographische Mitteilungen'
_journal_page_first              439
_journal_page_last               454
_journal_volume                  44
_journal_year                    1964
_chemical_compound_source
'Grube Gabe Gottes near Sainte-Marie-aux-Mines, France'
_chemical_formula_sum            'As Cu S'
_chemical_name_mineral           Lautite
_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                   11.356
_cell_length_b                   3.754
_cell_length_c                   5.453
_cell_formula_units_Z            4
_cell_volume                     232.464
_database_code_amcsd             0018614
_exptl_crystal_density_diffrn    4.873
_cod_original_formula_sum        'Cu As S'
_cod_database_code               9014265
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 #AU47
Liebscher, A.; Dorsam, G.; Franz, G.; Wunder, B.; Gottschalk, M.; American Mineralogist 95 (2010) 724–735; doi:10.2138/am.2010.3220

data_9014266
_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 #AU47
;
_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 Ca0.375 H4 O10 Si2 Sr0.625'
_chemical_name_mineral           Itoigawaite
_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                 124.35
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.3849
_cell_length_b                   13.2377
_cell_length_c                   5.8489
_cell_volume                     344.221
_database_code_amcsd             0018941
_exptl_crystal_density_diffrn    3.318
_cod_original_formula_sum        '(Ca.375 Sr.625) Al2 Si2 O10 H4'
_cod_database_code               9014266
High-pressure and high-temperature crystal chemistry of beryllium oxide Note: P = 5.0 GPa
Hazen, R. M.; Finger, L. W.; Journal of Applied Physics 59 (1986) 3728–3733; doi:10.1063/1.336756

data_9014267
_publ_section_title
;
 High-pressure and high-temperature crystal chemistry of beryllium oxide
 Note: P = 5.0 GPa
;
_journal_name_full               'Journal of Applied Physics'
_journal_page_first              3728
_journal_page_last               3733
_journal_paper_doi               10.1063/1.336756
_journal_volume                  59
_journal_year                    1986
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Be O'
_chemical_name_mineral           Bromellite
_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                   2.6776
_cell_length_b                   2.6776
_cell_length_c                   4.3454
_cell_formula_units_Z            2
_cell_volume                     26.981
_database_code_amcsd             0019184
_exptl_crystal_density_diffrn    3.079
_cod_database_code               9014267
The crystal structure of Ammonium Chlorobromoiodide and the Configuration of the Chlorobromoiodide Group
Mooney, R. C. L.; Zeitschrift für Kristallographie - Crystalline Materials 98 (1938) 324–333; doi:10.1524/zkri.1938.98.1.324

data_9014268
_publ_section_title
;
 The crystal structure of Ammonium Chlorobromoiodide and the
 Configuration of the Chlorobromoiodide Group
;
_journal_issue                   1-6
_journal_name_full
;
 Zeitschrift f\"ur Kristallographie - Crystalline Materials
;
_journal_page_first              324
_journal_page_last               333
_journal_paper_doi               10.1524/zkri.1938.98.1.324
_journal_volume                  98
_journal_year                    1938
_chemical_formula_sum            'Br Cl H4 I N'
_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_formula_units_Z            4
_cell_length_a                   6.13
_cell_length_b                   8.5
_cell_length_c                   9.94
_cell_volume                     517.924
_database_code_amcsd             0017362
_exptl_crystal_density_diffrn    3.287
_cod_duplicate_entry             1010441
_cod_original_formula_sum        'N Cl Br I'
_cod_database_code               9014268
_amcsd_formula_title             'Br Cl H4 I N'
Crystal structure and isothermal compression of Fe2O3, Cr2O3, and V2O3 to 50 kbars Note: P = 40.6 kbar
Finger, L. W.; Hazen, R. M.; Journal of Applied Physics 51 (1980) 5362–5367; doi:10.1063/1.327451

data_9014269
_publ_section_title
;
 Crystal structure and isothermal compression of Fe2O3, Cr2O3, and V2O3 to 50 kbars
 Note: P = 40.6 kbar
;
_journal_name_full               'Journal of Applied Physics'
_journal_page_first              5362
_journal_page_last               5367
_journal_paper_doi               10.1063/1.327451
_journal_volume                  51
_journal_year                    1980
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Cr2 O3'
_chemical_name_mineral           Eskolaite
_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                   4.9233
_cell_length_b                   4.9233
_cell_length_c                   13.4953
_cell_formula_units_Z            6
_cell_volume                     283.286
_database_code_amcsd             0017739
_exptl_crystal_density_diffrn    5.346
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_database_code               9014269
Variation in crystal structure, ionic conductivity and magnetic properties with the water uptake of a new hydrated sodium beta ferrite _cod_database_code 1008479
Nicolopoulos, S.; Vincent, H.; Anne, M.; Joubert, J.; Journal of Solid State Chemistry 87 (1990) 298–307; doi:10.1016/0022-4596(90)90032-S

data_9014270
_publ_section_title
;
 Variation in crystal structure, ionic conductivity and magnetic
 properties with the water uptake of a new hydrated sodium beta ferrite
 _cod_database_code 1008479
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              298
_journal_page_last               307
_journal_paper_doi               10.1016/0022-4596(90)90032-S
_journal_volume                  87
_journal_year                    1990
_chemical_formula_sum            'Fe9.966 Na1.608 O17.97 Zn0.99'
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   5.9401
_cell_length_b                   5.9401
_cell_length_c                   35.731
_cell_formula_units_Z            3
_cell_volume                     1091.851
_database_code_amcsd             0016379
_exptl_crystal_density_diffrn    4.315
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_original_formula_sum        'Fe9.966 O17.97 Na1.608 Zn.99'
_cod_database_code               9014270
_amcsd_formula_title             'Fe9.96 H2.47 Na1.61 O17.97 Zn0.99'
Nordgauite, MnAl2(PO4)2(F,OH)2*5H2O, a new mineral from the Hagendorf-Sud pegmatite, Bavaria, Germany: description and crystal structure
Birch, W. D.; Grey, I. E.; Mills, S. J.; Pring, A.; Bougerol, C.; Ribabldi-Tunnicliffe A; Wilson, N. C.; Keck, E.; Mineralogical Magazine 75 (2011) 269–278; doi:10.1180/minmag.2011.075.2.269

data_9014271
_publ_section_title
;
 Nordgauite, MnAl2(PO4)2(F,OH)2*5H2O, a new mineral from the Hagendorf-Sud
 pegmatite, Bavaria, Germany: description and crystal structure
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              269
_journal_page_last               278
_journal_paper_doi               10.1180/minmag.2011.075.2.269
_journal_volume                  75
_journal_year                    2011
_chemical_compound_source        'the Hagendorf-Sud pegmatite, Bavaria, Germany'
_chemical_formula_sum
'Al2 Ca0.07 F2 Fe0.04 H10 Mg0.01 Mn0.87 O13 P2 Zn0.01'
_chemical_name_mineral           Nordgauite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                92.70
_cell_angle_beta                 99.83
_cell_angle_gamma                97.10
_cell_formula_units_Z            2
_cell_length_a                   9.887
_cell_length_b                   9.796
_cell_length_c                   6.054
_cell_volume                     571.913
_exptl_crystal_density_diffrn    2.472
_cod_depositor_comments
;
 Correcting the z coordinate of the 'H(51)' atom by changing it from
 '**********' to '0.05600' after consulting the AMCSD entry 0018376.

 Antanas Vaitkus,
 2018-07-18
;
_cod_original_formula_sum
'(Mn.87 Ca.07 Fe.04 Zn.01 Mg.01) P2 Al2 O13 F2 H10'
_cod_database_code               9014271
Structure cristalline du trimetaphosphate de potassium K3 P3 O9
Bagieu-Beucher M; Tordjman, I.; Durif, A.; Guitel, J.; Acta Crystallographica, Section B 32 (1976) 1427–1430; doi:10.1107/S0567740876005505

data_9014272
_publ_section_title
;
 Structure cristalline du trimetaphosphate de potassium K3 P3 O9
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              1427
_journal_page_last               1430
_journal_paper_doi               10.1107/S0567740876005505
_journal_volume                  32
_journal_year                    1976
_chemical_formula_sum            'K O3 P'
_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                 102.18
_cell_angle_gamma                90
_cell_length_a                   11.074
_cell_length_b                   11.965
_cell_length_c                   7.350
_cell_formula_units_Z            12
_cell_volume                     951.956
_database_code_amcsd             0009556
_exptl_crystal_density_diffrn    2.471
_cod_duplicate_entry             1007002
_cod_original_formula_sum        'K P O3'
_cod_database_code               9014272
_amcsd_formula_title             'K3 O9 P3'
Neutron diffraction study of orthorhombic BaTiO3 Note: tetragonal structure
Shirane, G.; Danner, H.; Pepinsky, R.; Physical Review 105 (1957) 856–860; doi:10.1103/PhysRev.105.856

data_9014273
_publ_section_title
;
 Neutron diffraction study of orthorhombic BaTiO3
 Note: tetragonal structure
;
_journal_name_full               'Physical Review'
_journal_page_first              856
_journal_page_last               860
_journal_paper_doi               10.1103/PhysRev.105.856
_journal_volume                  105
_journal_year                    1957
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ba O3 Ti'
_space_group_IT_number           99
_symmetry_space_group_name_Hall  'P 4 -2'
_symmetry_space_group_name_H-M   'P 4 m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   3.986
_cell_length_b                   3.986
_cell_length_c                   4.026
_cell_volume                     63.966
_database_code_amcsd             0018582
_exptl_crystal_density_diffrn    6.054
_cod_original_formula_sum        'Ba Ti O3'
_cod_database_code               9014273
_amcsd_formula_title             BaTiO3
Redetermination of Hg~2~I~2~
Kars, Mohammed; Roisnel, Thierry; Dorcet, Vincent; Rebbah, Allaoua; Carlos, Otero-Diáz L.; Acta Crystallographica, Section E: Structure Reports Online 68 (2012) i11–i11; doi:10.1107/S1600536811056339

data_9014274
_publ_section_title
;
 Redetermination of Hg~2~I~2~
;
_journal_coden_ASTM              ACSEBH
_journal_coeditor_code           WM2566
_journal_issue                   2
_journal_name_full
;
 Acta Crystallographica, Section E: Structure Reports Online
;
_journal_page_first              i11
_journal_page_last               i11
_journal_paper_doi               10.1107/S1600536811056339
_journal_volume                  68
_journal_year                    2012
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Hg2 I2'
_chemical_name_common            'mercurous iodide'
_chemical_name_mineral           Moschelite
_chemical_name_systematic        'mercury(I) iodide'
_space_group_IT_number           139
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.8974
_cell_length_b                   4.8974
_cell_length_c                   11.649
_cell_volume                     279.396
_database_code_amcsd             0018645
_exptl_crystal_density_diffrn    7.786
_cod_duplicate_entry             2233659
_cod_depositor_comments
;
 Updated bibliographic information.

 Antanas Vaitkus,
 2021-04-22
;
_cod_original_formula_sum        'Hg I'
_cod_database_code               9014274
Single crystal refinement of the structure of baghdadite from Fuka (Okayama Prefecture, Japan)
Biagioni, C.; Bonaccorsi, E.; Perchiazzi, N.; Merlino, S.; Periodico di Mineralogia 79 (2010) 1–9; doi:

data_9014275
_publ_section_title
;
 Single crystal refinement of the structure of baghdadite from
 Fuka (Okayama Prefecture, Japan)
;
_journal_name_full               'Periodico di Mineralogia'
_journal_page_first              1
_journal_page_last               9
_journal_volume                  79
_journal_year                    2010
_chemical_compound_source        'Fuka, Okayama Prefecture, Japan'
_chemical_formula_sum            'Ca3 O9 Si2 Ti0.14 Zr0.86'
_chemical_name_mineral           Baghdadite
_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                 90.96
_cell_angle_gamma                90
_cell_length_a                   10.432
_cell_length_b                   10.163
_cell_length_c                   7.356
_cell_formula_units_Z            4
_cell_volume                     779.777
_database_code_amcsd             0017879
_exptl_crystal_density_diffrn    3.455
_cod_original_formula_sum        'Ca3 (Zr.86 Ti.14) Si2 O9'
_cod_database_code               9014275
From structure topology to chemical composition. XII. Titanium silicates: the crystal chemistry of rinkite, Na2Ca4REETi(Si2O7)2OF3 Note: sample 2909
Camara, F.; Sokolova, E.; Hawthorne, F. C.; Mineralogical Magazine 75 (2011) 2755–2774; doi:10.1180/minmag.2011.075.6.2755

data_9014276
_publ_section_title
;
 From structure topology to chemical composition. XII. Titanium silicates:
 the crystal chemistry of rinkite, Na2Ca4REETi(Si2O7)2OF3
 Note: sample 2909
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              2755
_journal_page_last               2774
_journal_paper_doi               10.1180/minmag.2011.075.6.2755
_journal_volume                  75
_journal_year                    2011
_chemical_compound_source        'Ilimaussaq, Greenland'
_chemical_formula_sum
'Ca3.44 Ce0.5 F2.96 Fe0.02 Gd0.04 La0.16 Mn0.02 Na2.3 Nb0.34 Nd0.24 O15.04 Pr0.06 Si4 Sm0.04 Sr0.02 Ti0.6 Y0.08 Zr0.06'
_chemical_name_mineral           Rinkite
_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                 101.383
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.4414
_cell_length_b                   5.6628
_cell_length_c                   18.8315
_cell_volume                     777.934
_database_code_amcsd             0018563
_exptl_crystal_density_diffrn    3.520
_cod_original_formula_sum
'Ca3.44 Gd.04 Sm.04 Nd.24 Pr.06 Ce.5 La.16 Y.08 Sr.02 (Ti.6 Nb.34 Zr.06) Na2.3 Fe.02 Mn.02 Si4 O15.04 F2.96'
_cod_database_code               9014276
Crystal structure of pseudojohannite, with a revised formula, Cu3(OH)2[(UO2)4O4(SO4)2](H2O)12
Plasil, J.; Fejfarova, K.; Wallwork, K. S.; Dusek, M.; Skoda, R.; Sejkora, J.; Cejka, J.; Veselovsky, F.; Hlousek, J.; Meisser, N.; Brugger, J.; American Mineralogist 97 (2012) 1796–1803; doi:10.2138/am.2012.4127

data_9014277
_publ_section_title
;
 Crystal structure of pseudojohannite, with a revised formula,
 Cu3(OH)2[(UO2)4O4(SO4)2](H2O)12
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1796
_journal_page_last               1803
_journal_paper_doi               10.2138/am.2012.4127
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source        'White Canyon, Utah, USA'
_chemical_formula_sum            'Cu2.937 H26 O34 S2 U4'
_chemical_name_mineral           Pseudojohannite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                72.105
_cell_angle_beta                 70.544
_cell_angle_gamma                76.035
_cell_formula_units_Z            1
_cell_length_a                   8.6744
_cell_length_b                   8.8692
_cell_length_c                   10.0090
_cell_volume                     682.606
_database_code_amcsd             0019492
_exptl_crystal_density_diffrn    4.313
_cod_original_formula_sum        'U4 Cu2.937 S2 (O34 H26)'
_cod_database_code               9014277
Variability in sepiolite: Diffraction studies Note: Sample BAT225 Note: T = 225 C
Sanchez, M.; Garcia-Romero E; Suarez, M.; Silva, I.; Fuentes-Montero L; Martinez-Criado G; American Mineralogist 96 (2011) 1443–1454; doi:10.2138/am.2011.3761

data_9014278
_publ_section_title
;
 Variability in sepiolite: Diffraction studies
 Note: Sample BAT225
 Note: T = 225 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1443
_journal_page_last               1454
_journal_paper_doi               10.2138/am.2011.3761
_journal_volume                  96
_journal_year                    2011
_chemical_compound_source        'Batallones, Madrid, Spain'
_chemical_formula_sum            'H6 Mg3.592 O19 Si6'
_chemical_name_mineral           Sepiolite
_space_group_IT_number           52
_symmetry_space_group_name_Hall  '-P 2ab 2n'
_symmetry_space_group_name_H-M   'P n c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.2608
_cell_length_b                   27.0559
_cell_length_c                   5.2671
_cell_volume                     1889.745
_database_code_amcsd             0018529
_exptl_crystal_density_diffrn    1.989
_cod_original_formula_sum        'Si6 Mg3.592 O19 H6'
_cod_database_code               9014278