LMucko/crystallography-open-database huggingface dataset:
Trabzonite, Ca4[Si3O9(OH)]OH: crystal structure, revised formula, new occurrence and relation to killalaite
Armbruster, T.; Lazic, B.; Galuskina, I. O.; Galuskin, E. V.; Gnos, E.; Marzec, K. M.; Gazeev, V. M.; Mineralogical Magazine 76 (2012) 455–472; doi:10.1180/minmag.2012.076.3.02

data_9015788
_publ_section_title
;
 Trabzonite, Ca4[Si3O9(OH)]OH: crystal structure, revised formula, new occurrence
 and relation to killalaite
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              455
_journal_page_last               472
_journal_paper_doi               10.1180/minmag.2012.076.3.02
_journal_volume                  76
_journal_year                    2012
_chemical_compound_source        'Northern Caucasus, Russia'
_chemical_formula_sum            'Ca6.32 H3.36 O16 Si4'
_chemical_name_mineral           Killalaite
_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                 97.692
_cell_angle_gamma                90
_cell_length_a                   6.824
_cell_length_b                   15.465
_cell_length_c                   6.839
_cell_formula_units_Z            2
_cell_volume                     715.247
_database_code_amcsd             0018997
_exptl_crystal_density_diffrn    2.902
_cod_duplicate_entry             1519934
_cod_original_formula_sum        'Ca6.32 H3.36 Si4 O16'
_cod_database_code               9015788
Fluorocronite, the natural analogue of beta-PbF2, from the Sakha Republic, Russian Federation
Mills, S. J.; Kartashov, P. M.; Gamyanin, G. N.; Whitfield, P. S.; Kern, A.; Guerault, H.; Kampf, A. R.; Raudsepp, M.; European Journal of Mineralogy 23 (2011) 695–700; doi:10.1127/0935-1221/2011/0023-2136

data_9015789
_publ_section_title
;
 Fluorocronite, the natural analogue of beta-PbF2,
 from the Sakha Republic, Russian Federation
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              695
_journal_page_last               700
_journal_paper_doi               10.1127/0935-1221/2011/0023-2136
_journal_volume                  23
_journal_year                    2011
_chemical_compound_source
'Kupol&#x0092;noe deposit, Sarychev range, Sakha Republic, Russian Federation'
_chemical_formula_sum            'F2 Pb'
_chemical_name_mineral           Fluorocronite
_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                   5.9306
_cell_length_b                   5.9306
_cell_length_c                   5.9306
_cell_formula_units_Z            4
_cell_volume                     208.591
_database_code_amcsd             0018634
_exptl_crystal_density_diffrn    7.808
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_original_formula_sum        'Pb F2'
_cod_database_code               9015789
High-pressure and high-temperature crystal chemistry of beryllium oxide Note: T = 543 K
Hazen, R. M.; Finger, L. W.; Journal of Applied Physics 59 (1986) 3728–3733; doi:10.1063/1.336756

data_9015790
_publ_section_title
;
 High-pressure and high-temperature crystal chemistry of beryllium oxide
 Note: T = 543 K
;
_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                   2.7002
_cell_length_b                   2.7002
_cell_length_c                   4.3851
_cell_formula_units_Z            2
_cell_volume                     27.689
_database_code_amcsd             0019186
_exptl_crystal_density_diffrn    3.000
_cod_database_code               9015790
New insights into the high-pressure polymorphism of SiO2 cristobalite Note: P = 0.6 GPa
Dera, P.; Lazarz, J. D.; Prakapenka, V. B.; Barkley, M.; Downs, R. T.; Physics and Chemistry of Minerals 38 (2011) Online–first; doi:

data_9015791
_publ_section_title
;
 New insights into the high-pressure polymorphism of SiO2 cristobalite
 Note: P = 0.6 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              Online
_journal_page_last               first
_journal_volume                  38
_journal_year                    2011
_chemical_compound_source        'Ellora Caves, India'
_chemical_formula_sum            'O2 Si'
_chemical_name_mineral           Cristobalite
_space_group_IT_number           92
_symmetry_space_group_name_Hall  'P 4abw 2nw'
_symmetry_space_group_name_H-M   'P 41 21 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.908
_cell_length_b                   4.908
_cell_length_c                   6.784
_cell_formula_units_Z            4
_cell_volume                     163.416
_database_code_amcsd             0018343
_exptl_crystal_density_diffrn    2.442
_cod_original_formula_sum        'Si O2'
_cod_database_code               9015791
New ordered and distorted perovskites: the mixed platinates Ln2 M Pt O6 (Ln = La, Pr, Nd, Sm, Eu, Gd; M = Mg, Co, Ni, Zn) _cod_database_code 1001828
Ouchetto, K.; Archaimbault, F.; Choisnet, J.; Et-Tabirou M; Materials Chemistry and Physics 51 (1997) 117–124; doi:10.1016/S0254-0584(97)80279-9

data_9015792
_publ_section_title
;
 New ordered and distorted perovskites: the mixed platinates Ln2 M Pt O6
 (Ln = La, Pr, Nd, Sm, Eu, Gd; M = Mg, Co, Ni, Zn)
 _cod_database_code 1001828
;
_journal_name_full               'Materials Chemistry and Physics'
_journal_page_first              117
_journal_page_last               124
_journal_paper_doi               10.1016/S0254-0584(97)80279-9
_journal_volume                  51
_journal_year                    1997
_chemical_formula_sum            'Co0.5 Nd O3 Pt0.5'
_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.
_cell_angle_gamma                90
_cell_length_a                   5.4416
_cell_length_b                   5.6975
_cell_length_c                   7.7495
_cell_formula_units_Z            4
_cell_volume                     240.262
_database_code_amcsd             0014215
_exptl_crystal_density_diffrn    8.826
_cod_duplicate_entry             1001828
_cod_original_formula_sum        'Nd (Co.5 Pt.5) O3'
_cod_database_code               9015792
_amcsd_formula_title             'Co Nd2 O6 Pt'
Crystal structure refinement of a sepiolite/indigo Maya Blue pigment using molecular modelling and synchrotron diffraction
Giustetto, R.; Levy, D.; Wahyudi, O.; Ricchiardi, G.; Vitillo, J. G.; European Journal of Mineralogy 23 (2011) 449–466; doi:10.1127/0935-1221/2011/0023-2105

data_9015793
_publ_section_title
;
 Crystal structure refinement of a sepiolite/indigo Maya Blue pigment
 using molecular modelling and synchrotron diffraction
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              449
_journal_page_last               466
_journal_paper_doi               10.1127/0935-1221/2011/0023-2105
_journal_volume                  23
_journal_year                    2011
_chemical_compound_source        Germany
_chemical_formula_sum            'H13.64 Mg4 O22.82 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                   13.395
_cell_length_b                   27.016
_cell_length_c                   5.2765
_cell_volume                     1909.456
_database_code_amcsd             0018363
_exptl_crystal_density_diffrn    2.242
_cod_original_formula_sum        'Mg4 Si6 O22.82 H13.64'
_cod_database_code               9015793
A note on the compositions and crystal structures of MnB2, Mn3Si, Mn5Si3 and FeSi2
Aronsson, B.; Acta Chemica Scandinavica 14 (1960) 1414–1418; doi:10.3891/acta.chem.scand.14-1414

data_9015794
_publ_section_title
;
 A note on the compositions and crystal structures of MnB2, Mn3Si, Mn5Si3 and FeSi2
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              1414
_journal_page_last               1418
_journal_paper_doi               10.3891/acta.chem.scand.14-1414
_journal_volume                  14
_journal_year                    1960
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Mn3 Si'
_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                   5.722
_cell_length_b                   5.722
_cell_length_c                   5.722
_cell_formula_units_Z            4
_cell_volume                     187.346
_database_code_amcsd             0018918
_exptl_crystal_density_diffrn    6.839
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_database_code               9015794
_amcsd_formula_title             Mn3Si
Structural changes induced by cation ordering in ferrotapiolite Note: Crystal Kim19_q1, treated at 750 C for 40 min
Zema, M.; Tarantino, S. C.; Giorgiani, A.; Mineralogical Magazine 70 (2006) 319–328; doi:10.1180/0026461067030335

data_9015795
_publ_section_title
;
 Structural changes induced by cation ordering in ferrotapiolite
 Note: Crystal Kim19_q1, treated at 750 C for 40 min
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              319
_journal_page_last               328
_journal_paper_doi               10.1180/0026461067030335
_journal_volume                  70
_journal_year                    2006
_chemical_compound_source        'Kimito, Finland'
_chemical_formula_sum            'Fe0.999 Nb0.13 O6 Ta1.871'
_chemical_name_mineral           Tapiolite-(Fe)
_space_group_IT_number           136
_symmetry_space_group_name_Hall  '-P 4n 2n'
_symmetry_space_group_name_H-M   'P 42/m n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.7516
_cell_length_b                   4.7516
_cell_length_c                   9.2258
_cell_formula_units_Z            2
_cell_volume                     208.297
_database_code_amcsd             0018710
_exptl_crystal_density_diffrn    8.011
_cod_original_formula_sum        'Fe.999 Ta1.871 Nb.13 O6'
_cod_database_code               9015795
Synthetic tourmaline (olenite) with excess boron replacing silicon in the tetrahedral site: II. Structure analysis Sample: 1
Marler, B.; Borowski, M.; Wodara, U.; Schreyer, W.; European Journal of Mineralogy 14 (2002) 763–771; doi:10.1127/0935-1221/2002/0014-0763

data_9015796
_publ_section_title
;
 Synthetic tourmaline (olenite) with excess boron replacing silicon in the
 tetrahedral site: II. Structure analysis
 Sample: 1
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              763
_journal_page_last               771
_journal_paper_doi               10.1127/0935-1221/2002/0014-0763
_journal_volume                  14
_journal_year                    2002
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Al8.88 B5.22 H Na0.77 O31 Si3.78'
_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                   15.5996
_cell_length_b                   15.5996
_cell_length_c                   7.0224
_cell_volume                     1479.937
_database_code_amcsd             0006942
_exptl_crystal_density_diffrn    3.086
_cod_original_sg_symbol_H-M      'R 3 m'
_cod_original_formula_sum        'Na.77 Al8.88 Si3.78 B5.22 (O31 H)'
_cod_database_code               9015796
The dual behavior of the beta-As4S4 altered by light
Zoppi, M.; Pratesi, G.; American Mineralogist 97 (2012) 890–896; doi:10.2138/am.2012.3968

data_9015797
_publ_section_title
;
 The dual behavior of the beta-As4S4 altered by light
;
_journal_name_full               'American Mineralogist'
_journal_page_first              890
_journal_page_last               896
_journal_paper_doi               10.2138/am.2012.3968
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source        Synthetic
_chemical_formula_sum            'As S'
_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                 102.520
_cell_angle_gamma                90
_cell_length_a                   9.967
_cell_length_b                   9.355
_cell_length_c                   8.921
_cell_formula_units_Z            16
_cell_volume                     812.025
_database_code_amcsd             0019017
_exptl_crystal_density_diffrn    3.501
_cod_database_code               9015797
_amcsd_formula_title             beta-As4S4
Complete Al-Si order in scapolite Me37.5, ideally Ca3Na5[Al8Si16O48]Cl(CO3), and implications for antiphase domain boundaries (APBs)
Antao, S. M.; Hassan, I.; The Canadian Mineralogist 49 (2011) 581–586; doi:10.3749/canmin.49.2.581

data_9015798
_publ_section_title
;
 Complete Al-Si order in scapolite Me37.5, ideally Ca3Na5[Al8Si16O48]Cl(CO3),
 and implications for antiphase domain boundaries (APBs)
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              581
_journal_page_last               586
_journal_paper_doi               10.3749/canmin.49.2.581
_journal_volume                  49
_journal_year                    2011
_chemical_compound_source        'Lake Clear, Ontario, Canada'
_chemical_formula_sum
'C0.409 Al4 Ca1.352 Cl0.55 Fe0.012 K0.16 Na2.188 O25.388 S0.04 Si8 Sr0.016'
_chemical_name_mineral           Marialite
_space_group_IT_number           86
_symmetry_space_group_name_Hall  '-P 4bc'
_symmetry_space_group_name_H-M   'P 42/n :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   12.07899
_cell_length_b                   12.07899
_cell_length_c                   7.583467
_cell_volume                     1106.443
_database_code_amcsd             0018479
_exptl_crystal_density_diffrn    2.633
_cod_original_sg_symbol_H-M      'P 42/n'
_cod_original_formula_sum
'Cl.55 S.04 C.409 Fe.012 Sr.016 Ca1.352 Na2.188 K.16 Si8 Al4 O25.388'
_cod_database_code               9015798
The crystal chemistry of cosalite based on new electron-microprobe data and single-crystal determination of the structure Note: Sample 4
Topa, D.; Makovicky, E.; The Canadian Mineralogist 48 (2010) 1081–1107; doi:10.3749/canmin.48.5.1081

data_9015799
_publ_section_title
;
 The crystal chemistry of cosalite based on new electron-microprobe data and
 single-crystal determination of the structure
 Note: Sample 4
;
_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        'Ocna de Fier, Romania'
_chemical_formula_sum            'Bi4 Cu0.73 Pb3.695 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                   23.816
_cell_length_b                   4.0408
_cell_length_c                   19.057
_cell_formula_units_Z            4
_cell_volume                     1833.964
_database_code_amcsd             0017819
_exptl_crystal_density_diffrn    7.130
_cod_original_formula_sum        'Bi4 Pb3.695 Cu.73 S10'
_cod_database_code               9015799
Oxy-chromium-dravite, NaCr3(Cr4Mg2)(Si6O18)(BO3)3(OH)3O, a new mineral species of the tourmaline supergroup
Bosi, F.; Reznitskii, L.; Skogby, H.; American Mineralogist 97 (2012) 2024–2030; doi:10.2138/am.2012.4210

data_9015800
_publ_section_title
;
 Oxy-chromium-dravite, NaCr3(Cr4Mg2)(Si6O18)(BO3)3(OH)3O,
 a new mineral species of the tourmaline supergroup
;
_journal_name_full               'American Mineralogist'
_journal_page_first              2024
_journal_page_last               2030
_journal_paper_doi               10.2138/am.2012.4210
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source
'Pereval marble quarry, Sludyanka, Lake Baikal, Russia'
_chemical_formula_sum
'Al0.798 B3 Cr5.322 F0.46 H2.67 Mg2.073 Na O30.54 Si5.898 Ti0.039 V0.87'
_chemical_name_mineral           Oxy-chromium-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                   16.1121
_cell_length_b                   16.1121
_cell_length_c                   7.3701
_cell_volume                     1656.946
_database_code_amcsd             0019734
_exptl_crystal_density_diffrn    3.355
_cod_original_sg_symbol_H-M      'R 3 m'
_cod_original_formula_sum
'Na Cr5.322 V.87 Mg2.073 Ti.039 Al.798 B3 Si5.898 O30.54 F.46 H2.67'
_cod_database_code               9015800
Crystal structures of six new uranyl selenate and selenite compounds and their relationship with uranyl mineral structures Note: Compound 3
Wylie, E. M.; Burns, P. C.; The Canadian Mineralogist 50 (2012) 147–157; doi:10.3749/canmin.50.1.147

data_9015801
_publ_section_title
;
 Crystal structures of six new uranyl selenate and selenite compounds and
 their relationship with uranyl mineral structures
 Note: Compound 3
;
_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            'Cs H5 O12 Se U2'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                95.9640
_cell_angle_beta                 99.1550
_cell_angle_gamma                117.3180
_cell_formula_units_Z            2
_cell_length_a                   8.6877
_cell_length_b                   8.7164
_cell_length_c                   8.9589
_cell_volume                     582.847
_database_code_amcsd             0019087
_exptl_crystal_density_diffrn    5.043
_cod_original_formula_sum        'U2 Cs Se (O12 H5)'
_cod_database_code               9015801
_amcsd_formula_title             U4Cs2Se2O24
The crystal structure of boracite Note: high boracite Note: T = 300 C
Ito, T.; Morimoto, N.; Sadanaga, R.; Acta Crystallographica 4 (1951) 310–316; doi:10.1107/S0365110X51001033

data_9015802
_publ_section_title
;
 The crystal structure of boracite
 Note: high boracite
 Note: T = 300 C
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              310
_journal_page_last               316
_journal_paper_doi               10.1107/S0365110X51001033
_journal_volume                  4
_journal_year                    1951
_chemical_compound_source        'Stassfurt, Germany'
_chemical_formula_sum            'B7 Cl Mg3 O13'
_chemical_name_mineral           Boracite
_space_group_IT_number           219
_symmetry_space_group_name_Hall  'F -4a 2 3'
_symmetry_space_group_name_H-M   'F -4 3 c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   12.1
_cell_length_b                   12.1
_cell_length_c                   12.1
_cell_formula_units_Z            8
_cell_volume                     1771.561
_database_code_amcsd             0019540
_exptl_crystal_density_diffrn    2.940
_cod_original_formula_sum        'Mg3 B7 O13 Cl'
_cod_database_code               9015802
High-pressure phase transformation in LiFeGe2O6 pyroxene Note: P = 4.83 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_9015803
_publ_section_title
;
 High-pressure phase transformation in LiFeGe2O6 pyroxene
 Note: P = 4.83 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                 101.55
_cell_angle_gamma                90
_cell_length_a                   9.500
_cell_length_b                   8.711
_cell_length_c                   5.127
_cell_formula_units_Z            4
_cell_volume                     415.691
_database_code_amcsd             0004911
_exptl_crystal_density_diffrn    4.858
_cod_original_formula_sum        'Li Fe Ge2 O6'
_cod_database_code               9015803
_amcsd_formula_title             LiFeGe2O6
Costituzione degli idrosside ed idrati. - Nota III. Sull'idrossido di stronzio ottoidrato _cod_database_code 1010383
Natta, G.; Gazzetta Chimica Italiana 58 (1928) 870–882; doi:

data_9015804
_publ_section_title
;
 Costituzione degli idrosside ed idrati. - Nota III. Sull'idrossido di
 stronzio ottoidrato
 _cod_database_code 1010383
;
_journal_name_full               'Gazzetta Chimica Italiana'
_journal_page_first              870
_journal_page_last               882
_journal_volume                  58
_journal_year                    1928
_chemical_formula_sum            'O10 Sr'
_space_group_IT_number           123
_symmetry_space_group_name_Hall  '-P 4 2'
_symmetry_space_group_name_H-M   'P 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   6.41
_cell_length_b                   6.41
_cell_length_c                   5.807
_cell_formula_units_Z            1
_cell_volume                     238.599
_database_code_amcsd             0017308
_exptl_crystal_density_diffrn    1.723
_cod_duplicate_entry             1010383
_cod_original_formula_sum        'Sr O10'
_cod_database_code               9015804
_amcsd_formula_title             'H18 O10 Sr'