LMucko/crystallography-open-database huggingface dataset:
A new elaboration process of the superconducting Tl2Ba2CuO6 phase with Tc=90K _cod_database_code 1008594
Opagiste, C.; Couach, M.; Khoder, A.; Abraham, R.; Jondo, T.; Jorda, J.; Cohen-Adad M; Junod, A.; Triscone, G.; Muller, J.; Journal of Alloys and Compounds 195 (1993) 47–52; doi:

data_9016038
_publ_section_title
;
 A new elaboration process of the superconducting Tl2Ba2CuO6 phase with Tc=90K
 _cod_database_code 1008594
;
_journal_name_full               'Journal of Alloys and Compounds'
_journal_page_first              47
_journal_page_last               52
_journal_volume                  195
_journal_year                    1993
_chemical_formula_sum            'Ba2 Cu1.059 O6 Tl1.941'
_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_length_a                   3.8714
_cell_length_b                   3.8714
_cell_length_c                   23.269
_cell_formula_units_Z            2
_cell_volume                     348.750
_database_code_amcsd             0016485
_exptl_crystal_density_diffrn    7.948
_cod_duplicate_entry             1008594
_cod_original_formula_sum        'Tl1.941 Cu1.059 Ba2 O6'
_cod_database_code               9016038
_amcsd_formula_title             'Ba2 Cu1.06 O6 Tl1.94'
Hydrogen-bond studies. LXXXIV. An X-ray diffraction study of the structures of KHCO3 and KDCO3 at 298, 219 and 95 K Note: T = 95 K Note z-coordinate of O3 has been modified with a negative sign
Thomas, J. O.; Tellgren, R.; Olovsson, I.; Acta Crystallographica, Section B 30 (1974) 1155–1166; doi:10.1107/S0567740874004481

data_9016039
_publ_section_title
;
 Hydrogen-bond studies. LXXXIV. An X-ray diffraction study
 of the structures of KHCO3 and KDCO3 at 298, 219 and 95 K
 Note: T = 95 K
 Note z-coordinate of O3 has been modified with a negative sign
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              1155
_journal_page_last               1166
_journal_paper_doi               10.1107/S0567740874004481
_journal_volume                  30
_journal_year                    1974
_chemical_compound_source        Synthetic
_chemical_formula_sum            'C H K O3'
_chemical_name_mineral           Kalicinite
_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                 103.980
_cell_angle_gamma                90
_cell_length_a                   15.1150
_cell_length_b                   5.6044
_cell_length_c                   3.6609
_cell_formula_units_Z            4
_cell_volume                     300.931
_database_code_amcsd             0018504
_exptl_crystal_density_diffrn    2.210
_cod_original_formula_sum        'K H C O3'
_cod_database_code               9016039
Nouvelle description du tetrafluorure de neptunium hydrate, Np3F12H2O _cod_database_code 1001332
Cousson, A.; Gasperin, M.; Acta Crystallographica, Section C 41 (1985) 804–805; doi:10.1107/S0108270185005571

data_9016040
_publ_section_title
;
 Nouvelle description du tetrafluorure de neptunium hydrate, Np3F12H2O
 _cod_database_code 1001332
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              804
_journal_page_last               805
_journal_paper_doi               10.1107/S0108270185005571
_journal_volume                  41
_journal_year                    1985
_chemical_formula_sum            'F12 Np3 O'
_space_group_IT_number           8
_symmetry_space_group_name_Hall  'C -2y'
_symmetry_space_group_name_H-M   'C 1 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 128.77
_cell_angle_gamma                90
_cell_length_a                   12.023
_cell_length_b                   11.723
_cell_length_c                   8.435
_cell_formula_units_Z            4
_cell_volume                     926.926
_database_code_amcsd             0010008
_exptl_crystal_density_diffrn    6.843
_cod_duplicate_entry             1001332
_cod_original_formula_sum        'Np3 F12 O'
_cod_database_code               9016040
_amcsd_formula_title             Np3F12H2O
Neutron powder diffraction study of the intermediate-temperature form of lithium tantalate
Santoro, A.; Roth, R. S.; Minor, D.; Acta Crystallographica, Section B 33 (1977) 3945–3947; doi:10.1107/S0567740877012540

data_9016041
_publ_section_title
;
 Neutron powder diffraction study of the intermediate-temperature form
 of lithium tantalate
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              3945
_journal_page_last               3947
_journal_paper_doi               10.1107/S0567740877012540
_journal_volume                  33
_journal_year                    1977
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Li O8 Ta3'
_chemical_name_mineral           Lithiowodginite
_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                 91.108
_cell_angle_gamma                90
_cell_length_a                   9.410
_cell_length_b                   11.521
_cell_length_c                   5.0506
_cell_formula_units_Z            4
_cell_volume                     547.446
_database_code_amcsd             0018738
_exptl_crystal_density_diffrn    8.223
_cod_original_formula_sum        'Li Ta3 O8'
_cod_database_code               9016041
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 #AU83
Liebscher, A.; Dorsam, G.; Franz, G.; Wunder, B.; Gottschalk, M.; American Mineralogist 95 (2010) 724–735; doi:10.2138/am.2010.3220

data_9016042
_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 #AU83
;
_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 Ca0.82 H4 O10 Si2 Sr0.18'
_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                   5.8433
_cell_length_b                   8.8169
_cell_length_c                   13.1726
_cell_volume                     678.650
_database_code_amcsd             0018952
_exptl_crystal_density_diffrn    3.159
_cod_original_formula_sum        '(Ca.82 Sr.18) Al2 Si2 O10 H4'
_cod_database_code               9016042
Die Kristallstrukturen einiger Hexachlorokomplexsalze. _cod_database_code 1010181
Engel, G.; Zeitschrift fur Kristallographie 90 (1935) 341–373; doi:

data_9016043
_publ_section_title
;
 Die Kristallstrukturen einiger Hexachlorokomplexsalze.
 _cod_database_code 1010181
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              341
_journal_page_last               373
_journal_volume                  90
_journal_year                    1935
_chemical_formula_sum            'Cl6 N2 Pt'
_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                   9.834
_cell_length_b                   9.834
_cell_length_c                   9.834
_cell_formula_units_Z            4
_cell_volume                     951.022
_database_code_amcsd             0017117
_exptl_crystal_density_diffrn    3.044
_cod_duplicate_entry             1010181
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_original_formula_sum        'Pt N2 Cl6'
_cod_database_code               9016043
_amcsd_formula_title             'Cl6 H8 N2 Pt'
Crystal structure of BaMg2Si2O7 and Eu2+ luminescence
Park, C. H.; Choi, Y. N.; Journal of Solid State Chemistry 182 (2009) 1884–1888; doi:10.1016/j.jssc.2009.05.002

data_9016044
_publ_section_title
;
 Crystal structure of BaMg2Si2O7 and Eu2+ luminescence
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              1884
_journal_page_last               1888
_journal_paper_doi               10.1016/j.jssc.2009.05.002
_journal_volume                  182
_journal_year                    2009
_chemical_formula_sum            'Ba Mg2 O7 Si2'
_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                 90.2107
_cell_angle_gamma                90
_cell_length_a                   7.24553
_cell_length_b                   12.71376
_cell_length_c                   13.74813
_cell_formula_units_Z            8
_cell_volume                     1266.441
_database_code_amcsd             0019235
_exptl_crystal_density_diffrn    3.714
_cod_original_formula_sum        'Ba Mg2 Si2 O7'
_cod_database_code               9016044
_amcsd_formula_title             BaMg2Si2O7
The crystal structure of trimeric phosphonitrilic bromide. _cod_database_code 1008090
de Santis, P.; Giglio, E.; Ripamonti, A.; Journal of Inorganic and Nuclear Chemistry 24 (1962) 469–474; doi:10.1016/0022-1902(62)80232-2

data_9016045
_publ_section_title
;
 The crystal structure of trimeric phosphonitrilic bromide.
 _cod_database_code 1008090
;
_journal_name_full               'Journal of Inorganic and Nuclear Chemistry'
_journal_page_first              469
_journal_page_last               474
_journal_paper_doi               10.1016/0022-1902(62)80232-2
_journal_volume                  24
_journal_year                    1962
_chemical_formula_sum            'Br2 N P'
_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                   6.63
_cell_length_b                   13.36
_cell_length_c                   14.43
_cell_formula_units_Z            12
_cell_volume                     1278.163
_database_code_amcsd             0016032
_exptl_crystal_density_diffrn    3.193
_cod_duplicate_entry             1008090
_cod_original_formula_sum        'N P Br2'
_cod_database_code               9016045
_amcsd_formula_title             'Br6 N3 P3'
Lavoisierite, Mn2+8[Al10(Mn3+Mg)][Si11P]O44(OH)12, a new mineral from Piedmont, Italy: the link between "ardennite" and sursassite
Orlandi, P.; Biagioni, C.; Pasero, M.; Mellini, M.; Physics and Chemistry of Minerals 40 (2013) 239–249; doi:10.1007/s00269-013-0564-x

data_9016046
_publ_section_title
;
 Lavoisierite, Mn2+8[Al10(Mn3+Mg)][Si11P]O44(OH)12, a new mineral from
 Piedmont, Italy: the link between "ardennite" and sursassite
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              239
_journal_page_last               249
_journal_paper_doi               10.1007/s00269-013-0564-x
_journal_volume                  40
_journal_year                    2013
_chemical_compound_source
'Piedmontese Nappe from Punta Gensane, Viu Valley, Western Alps, Italy'
_chemical_formula_sum
'Al9.84 Ca0.84 H12 Mg2.6 Mn6.72 O56 P0.5 Si11.5'
_chemical_name_mineral           Lavoisierite
_space_group_IT_number           59
_symmetry_space_group_name_Hall  '-P 2c 2bc'
_symmetry_space_group_name_H-M   'P n m m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.6891
_cell_length_b                   5.7755
_cell_length_c                   36.9504
_cell_volume                     1854.315
_database_code_amcsd             0019788
_exptl_crystal_density_diffrn    3.543
_cod_original_sg_symbol_H-M      'P n m m'
_cod_original_formula_sum        'Mn6.72 Ca.84 Mg2.6 Al9.84 Si11.5 P.5 O56 H12'
_cod_database_code               9016046
Synthesis and structural study of five new trisilicates, BaREE2Si3O10 (REE = Gd, Er, Yb, Sc) and SrY2Si3O10, including a review on the geometry of the Si3O10 unit
Wierzbicka-Wieczorek M; Kolitsch, U.; Tillmanns, E.; European Journal of Mineralogy 22 (2010) 245–258; doi:10.1127/0935-1221/2010/0022-1969

data_9016047
_publ_section_title
;
 Synthesis and structural study of five new trisilicates, BaREE2Si3O10
 (REE = Gd, Er, Yb, Sc) and SrY2Si3O10,
 including a review on the geometry of the Si3O10 unit
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              245
_journal_page_last               258
_journal_paper_doi               10.1127/0935-1221/2010/0022-1969
_journal_volume                  22
_journal_year                    2010
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ba Er2 O10 Si3'
_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                 106.47
_cell_angle_gamma                90
_cell_length_a                   5.389
_cell_length_b                   12.163
_cell_length_c                   6.840
_cell_formula_units_Z            2
_cell_volume                     429.941
_database_code_amcsd             0017780
_exptl_crystal_density_diffrn    5.531
_cod_original_formula_sum        'Ba Er2 Si3 O10'
_cod_database_code               9016047
_amcsd_formula_title             BaEr2Si3O10
Structure cristalline d'un tripolyphosphate acide mixte zinc-argent nonahydrate: Zn2 Ag0.62 H0.38 P3 O10 (H2 O)9
Averbuch-Pouchot, M. T.; Guitel, J. C.; Acta Crystallographica, Section B 32 (1976) 2270–2274; doi:10.1107/S0567740876007577

data_9016048
_publ_section_title
;
 Structure cristalline d'un tripolyphosphate acide mixte zinc-argent
 nonahydrate: Zn2 Ag0.62 H0.38 P3 O10 (H2 O)9
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              2270
_journal_page_last               2274
_journal_paper_doi               10.1107/S0567740876007577
_journal_volume                  32
_journal_year                    1976
_chemical_formula_sum            'Ag0.62 O19 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                101.08
_cell_angle_beta                 109.81
_cell_angle_gamma                98.87
_cell_length_a                   10.473
_cell_length_b                   10.683
_cell_length_c                   8.629
_cell_formula_units_Z            2
_cell_volume                     865.860
_database_code_amcsd             0015949
_exptl_crystal_density_diffrn    2.281
_cod_duplicate_entry             1008001
_cod_original_formula_sum        'Zn2 Ag.62 P3 O19'
_cod_database_code               9016048
_amcsd_formula_title             'Ag0.62 H18.38 O19 P3 Zn2'
Layer Structure: The Oxides A3 Ti5 M O14 _cod_database_code 1001106
Hervieu, M.; Rebbah, A.; Desgardin, G.; Raveau, B.; Journal of Solid State Chemistry 35 (1980) 200–206; doi:10.1016/0022-4596(80)90494-6

data_9016049
_publ_section_title
;
 Layer Structure: The Oxides A3 Ti5 M O14
 _cod_database_code 1001106
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              200
_journal_page_last               206
_journal_paper_doi               10.1016/0022-4596(80)90494-6
_journal_volume                  35
_journal_year                    1980
_chemical_formula_sum            'K1.5 Nb0.5 O7 Ti2.5'
_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
_cell_angle_beta                 101.21
_cell_angle_gamma                90
_cell_length_a                   18.371
_cell_length_b                   3.794
_cell_length_c                   9.199
_cell_formula_units_Z            4
_cell_volume                     628.934
_database_code_amcsd             0013410
_exptl_crystal_density_diffrn    3.557
_cod_duplicate_entry             1001106
_cod_original_formula_sum        'K1.5 Ti2.5 Nb.5 O7'
_cod_database_code               9016049
_amcsd_formula_title             'K3 Nb O14 Ti5'
The crystal chemistry of lizardite-1T from north Apennines ophiolites near Modena, Italy Note: sample Santa Scolastica, polytype 1T
Laurora, A.; Brigatti, M. F.; Malferrari, D.; Galli, E.; The Canadian Mineralogist 49 (2011) 1045–1054; doi:10.3749/canmin.49.4.1045

data_9016050
_publ_section_title
;
 The crystal chemistry of lizardite-1T from north
 Apennines ophiolites near Modena, Italy
 Note: sample Santa Scolastica, polytype 1T
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1045
_journal_page_last               1054
_journal_paper_doi               10.3749/canmin.49.4.1045
_journal_volume                  49
_journal_year                    2011
_chemical_compound_source        'Santa Scolastica, Modena Apennines, Italy'
_chemical_formula_sum            'Al0.201 Fe0.339 H4 Mg2.544 O9 Si1.904'
_chemical_name_mineral           Lizardite
_space_group_IT_number           157
_symmetry_space_group_name_Hall  'P 3 -2'
_symmetry_space_group_name_H-M   'P 3 1 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   5.3263
_cell_length_b                   5.3263
_cell_length_c                   7.2885
_cell_formula_units_Z            1
_cell_volume                     179.069
_database_code_amcsd             0018977
_exptl_crystal_density_diffrn    2.668
_cod_original_formula_sum        'Si1.904 Al.201 Fe.339 Mg2.544 O9 H4'
_cod_database_code               9016050
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 = 6 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_9016051
_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 = 6 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            'Al1.463 Fe0.535 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                   8.1704
_cell_length_b                   8.1704
_cell_length_c                   8.1704
_cell_formula_units_Z            8
_cell_volume                     545.419
_database_code_amcsd             0019339
_exptl_crystal_density_diffrn    3.841
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Al1.463 Mg1.002 Fe.535) O4'
_cod_database_code               9016051
Re-investigation of the crystal structure of enstatite under high-pressure conditions Note: P = 4.19(4) GPa
Periotto, B.; Balic-Zunic T; Nestola, F.; Katerinopoulou, A.; Angel, R. J.; American Mineralogist 97 (2012) 1741–1748; doi:10.2138/am.2012.4157

data_9016052
_publ_section_title
;
 Re-investigation of the crystal structure of enstatite under high-pressure conditions
 Note: P = 4.19(4) GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1741
_journal_page_last               1748
_journal_paper_doi               10.2138/am.2012.4157
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Mg O3 Si'
_chemical_name_mineral           Enstatite
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   18.056
_cell_length_b                   8.692
_cell_length_c                   5.1192
_cell_formula_units_Z            16
_cell_volume                     803.421
_database_code_amcsd             0019519
_exptl_crystal_density_diffrn    3.320
_cod_original_formula_sum        'Mg Si O3'
_cod_database_code               9016052
The sulfite anion in ettringite-group minerals: a new mineral species hielscherite, Ca3Si(OH)6(SO4)(SO3)*11H2O, and the thaumasite-hielscherite solid-solution series Note: sample Zb-01, single crystal
Pekov, I. V.; Chukanov, N. V.; Britvin, S. N.; Kabalov, Y. K.; Gottlicher, J.; Yapaskurt, V. O.; Zadov, A. E.; Krivovichev, S. V.; Schuller, W.; Ternes, B.; Mineralogical Magazine 76 (2012) 1133–1152; doi:10.1180/minmag.2012.076.5.06

data_9016053
_publ_section_title
;
 The sulfite anion in ettringite-group minerals: a new mineral species
 hielscherite, Ca3Si(OH)6(SO4)(SO3)*11H2O, and the thaumasite-hielscherite
 solid-solution series
 Note: sample Zb-01, single crystal
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              1133
_journal_page_last               1152
_journal_paper_doi               10.1180/minmag.2012.076.5.06
_journal_volume                  76
_journal_year                    2012
_chemical_compound_source
'Zeilberg basalt quarry, Maroldsweisach, Franconia, Bavaria'
_chemical_formula_sum            'C0.5 Ca3 O25 S1.27 Si'
_chemical_name_mineral           Thaumasite
_space_group_IT_number           173
_symmetry_space_group_name_Hall  'P 6c'
_symmetry_space_group_name_H-M   'P 63'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   11.070
_cell_length_b                   11.070
_cell_length_c                   10.4397
_cell_formula_units_Z            2
_cell_volume                     1107.934
_database_code_amcsd             0019543
_exptl_crystal_density_diffrn    1.784
_cod_original_formula_sum        'Ca3 Si O25 S1.27 C.5'
_cod_database_code               9016053