LMucko/crystallography-open-database huggingface dataset:
Bidimensional cationic ordering and thermal dependence in beta- Pb(x)V2O5 bronzes _cod_database_code 1004148
Mentre, O.; Huve, M.; Abraham, F.; Journal of Solid State Chemistry 145 (1999) 186–196; doi:10.1006/jssc.1999.8241

data_9016352
_publ_section_title
;
 Bidimensional cationic ordering and thermal dependence
 in beta- Pb(x)V2O5 bronzes
 _cod_database_code 1004148
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              186
_journal_page_last               196
_journal_paper_doi               10.1006/jssc.1999.8241
_journal_volume                  145
_journal_year                    1999
_chemical_formula_sum            'O10 Pb0.608 V4'
_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                 109.29
_cell_angle_gamma                90
_cell_length_a                   15.478
_cell_length_b                   7.288
_cell_length_c                   10.123
_cell_formula_units_Z            6
_cell_volume                     1077.803
_database_code_amcsd             0013976
_exptl_crystal_density_diffrn    4.527
_cod_duplicate_entry             1004148
_cod_original_formula_sum        'Pb.608 V4 O10'
_cod_database_code               9016352
_amcsd_formula_title             'O5 Pb0.304 V2'
Crystal chemistry of cancrinite-group minerals with an AB-type framework: A review and new data. I. Chemical and structural variations Note: Sample# kir2343
Pekov, I. V.; Olysych, L. V.; Chukanov, N. V.; Zubkova, N. V.; Pushcharovsky D Yu; Van, K. V.; Giester, G.; Tillmanns, E.; The Canadian Mineralogist 49 (2012) 1129–1150; doi:10.3749/canmin.49.5.1129

data_9016353
_publ_section_title
;
 Crystal chemistry of cancrinite-group minerals with an AB-type framework:
 A review and new data. I. Chemical and structural variations
 Note: Sample# kir2343
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1129
_journal_page_last               1150
_journal_paper_doi               10.3749/canmin.49.5.1129
_journal_volume                  49
_journal_year                    2012
_chemical_compound_source        Khibiny
_chemical_formula_sum
'C0.736 H1.998 Al2.7 Ca0.21 Na3.73 O15.207 Si3.3'
_chemical_name_mineral           Cancrinite
_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_formula_units_Z            2
_cell_length_a                   12.607
_cell_length_b                   12.607
_cell_length_c                   5.111
_cell_volume                     703.493
_database_code_amcsd             0018870
_exptl_crystal_density_diffrn    2.426
_cod_original_formula_sum        'Si3.3 Al2.7 O15.207 Na3.73 Ca.21 C.736 H1.998'
_cod_database_code               9016353
The crystal structure of the zeolite ferrierite
Vaughan, P. A.; Acta Crystallographica 21 (1966) 983–990; doi:10.1107/S0365110X66004298

data_9016354
_publ_section_title
;
 The crystal structure of the zeolite ferrierite
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              983
_journal_page_last               990
_journal_paper_doi               10.1107/S0365110X66004298
_journal_volume                  21
_journal_year                    1966
_chemical_compound_source        'Kamloops Lake, British Columbia, Canada'
_chemical_formula_sum            'Al2.754 H12 Mg Na0.75 O42 Si15.246'
_chemical_name_mineral           Ferrierite-Mg
_space_group_IT_number           71
_symmetry_space_group_name_Hall  '-I 2 2'
_symmetry_space_group_name_H-M   'I m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   19.156
_cell_length_b                   14.127
_cell_length_c                   7.489
_cell_volume                     2026.649
_database_code_amcsd             0017696
_exptl_crystal_density_diffrn    2.013
_cod_original_formula_sum        'Na.75 Mg (Si15.246 Al2.754) O42 H12'
_cod_database_code               9016354
Li/H topotactic exchange on LiSbO3: The series Li(1-x)HxSbO3 (0<=x<=1). _cod_database_code 1000142
Fourquet, J.; Gillet, P.; Le Bail, A.; Materials Research Bulletin 24 (1989) 1207–1214; doi:10.1016/0025-5408(89)90195-5

data_9016355
_publ_section_title
;
 Li/H topotactic exchange on LiSbO3: The series Li(1-x)HxSbO3 (0<=x<=1).
 _cod_database_code 1000142
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              1207
_journal_page_last               1214
_journal_paper_doi               10.1016/0025-5408(89)90195-5
_journal_volume                  24
_journal_year                    1989
_chemical_formula_sum            'Li0.4 O3 Sb'
_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_length_a                   4.7260
_cell_length_b                   8.659
_cell_length_c                   5.2306
_cell_formula_units_Z            4
_cell_volume                     214.049
_database_code_amcsd             0014343
_exptl_crystal_density_diffrn    5.354
_cod_original_formula_sum        'Li.4 Sb O3'
_cod_database_code               9016355
_amcsd_formula_title             H0.6Li0.4SbO3
Structure refinement of pyrite-type ruthenium disulfide, RuS2, and ruthenium diselenide, RuSe2
Lutz, H. D.; Muller, B.; Schmidt, T.; Stingl, T.; Acta Crystallographica, Section C 46 (1990) 2003–2005; doi:10.1107/S0108270190001925

data_9016356
_publ_section_title
;
 Structure refinement of pyrite-type ruthenium disulfide, RuS2,
 and ruthenium diselenide, RuSe2
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              2003
_journal_page_last               2005
_journal_paper_doi               10.1107/S0108270190001925
_journal_volume                  46
_journal_year                    1990
_chemical_formula_sum            'Ru S2'
_chemical_name_mineral           Laurite
_space_group_IT_number           205
_symmetry_space_group_name_Hall  '-P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P a -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.6106
_cell_length_b                   5.6106
_cell_length_c                   5.6106
_cell_volume                     176.615
_database_code_amcsd             0010195
_exptl_crystal_density_diffrn    6.213
_cod_original_sg_symbol_H-M      'P a 3'
_cod_database_code               9016356
An X-ray study of hydrazine hydrate, N2 H4 (H2 O)
Zocchi, M.; Busing, W. R.; Ellison, R. D.; Levy, H. A.; Acta Crystallographica 15 (1962) 803–803; doi:10.1107/S0365110X62002066

data_9016357
_publ_section_title
;
 An X-ray study of hydrazine hydrate, N2 H4 (H2 O)
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica'
_journal_page_first              803
_journal_page_last               803
_journal_paper_doi               10.1107/S0365110X62002066
_journal_volume                  15
_journal_year                    1962
_chemical_formula_sum            'N2.004 O'
_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                   6.76
_cell_length_b                   6.76
_cell_length_c                   6.76
_cell_formula_units_Z            4
_cell_volume                     308.916
_database_code_amcsd             0016785
_exptl_crystal_density_diffrn    0.948
_cod_duplicate_entry             1008918
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_original_formula_sum        'O N2.004'
_cod_database_code               9016357
_amcsd_formula_title             'H6 N2 O'
Kircherite, a new mineral of the cancrinite-sodalite group with a 36-layer stacking sequence: Occurrence and crystal structure
Camara, F.; Bellatreccia, F.; Della Ventura, G.; Gunter, M. E.; Sebastiani, M.; Cavallo, A.; American Mineralogist 97 (2012) 1494–1504; doi:10.2138/am.2012.4033

data_9016358
_publ_section_title
;
 Kircherite, a new mineral of the cancrinite-sodalite group with a 36-layer
 stacking sequence: Occurrence and crystal structure
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1494
_journal_page_last               1504
_journal_paper_doi               10.2138/am.2012.4033
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source
'Valle Biachella, Sacrofano community (Rome, Latium, Italy)'
_chemical_formula_sum
'Al36 Ca6.986 H3.76 K12.636 Na30.232 O169.914 S14.656 Si36'
_chemical_name_mineral           Kircherite
_space_group_IT_number           155
_symmetry_space_group_name_Hall  'R 3 2"'
_symmetry_space_group_name_H-M   'R 3 2 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   12.8770
_cell_length_b                   12.8770
_cell_length_c                   95.244
_cell_volume                     13677.214
_database_code_amcsd             0019258
_exptl_crystal_density_diffrn    2.420
_cod_original_sg_symbol_H-M      'R 3 2'
_cod_original_formula_sum
'K12.636 Na30.232 Ca6.986 Si36 Al36 O169.914 S14.656 H3.76'
_cod_database_code               9016358
Thermal expansion and crystal structure of cementite, Fe3C, between 4 and 600 K determined by time-of-flight neutron powder diffraction Note: T = 360 K
Wood, I. G.; Vocadlo, L.; Knight, K. S.; Dobson, D. P.; Marshall, W. G.; Price, G. D.; Brodholt, J.; Journal of Applied Crystallography 37 (2004) 82–90; doi:10.1107/S0021889803024695

data_9016359
_publ_section_title
;
 Thermal expansion and crystal structure of cementite, Fe3C, between 4 and 600 K
 determined by time-of-flight neutron powder diffraction
 Note: T = 360 K
;
_journal_name_full               'Journal of Applied Crystallography'
_journal_page_first              82
_journal_page_last               90
_journal_paper_doi               10.1107/S0021889803024695
_journal_volume                  37
_journal_year                    2004
_chemical_compound_source        Synthetic
_chemical_formula_sum            'C Fe3'
_chemical_name_mineral           Cohenite
_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_formula_units_Z            4
_cell_length_a                   5.080
_cell_length_b                   6.757
_cell_length_c                   4.518
_cell_measurement_temperature    360
_cell_volume                     155.083
_database_code_amcsd             0019116
_diffrn_ambient_temperature      360
_exptl_crystal_density_diffrn    7.690
_cod_duplicate_entry             2300079
_cod_depositor_comments
;
 Adding the _cell_measurement_temperature and _diffrn_ambient_temperature
 data items after consulting the original publication.

 Antanas Vaitkus,
 2017-08-17

 Adding the _cell_formula_units_Z data item after consulting the original
 publication.

 Antanas Vaitkus,
 2017-08-17
;
_cod_original_formula_sum        'Fe3 C'
_cod_database_code               9016359
Neutron diffraction study of Li1+x (Li2x/3 Fe1-x Sn1+x/3) O4, a nonstoichiometric ramsdellite and its transition to a double hexagonal close packed structure for x = 0 _cod_database_code 1000432
Lacorre, P.; Hervieu, M.; Pannetier, J.; Choisnet, J.; Raveau, B.; Journal of Solid State Chemistry 50 (1983) 196–203; doi:10.1016/0022-4596(83)90188-3

data_9016360
_publ_section_title
;
 Neutron diffraction study of Li1+x (Li2x/3 Fe1-x Sn1+x/3) O4, a
 nonstoichiometric ramsdellite and its transition to a double hexagonal
 close packed structure for x = 0
 _cod_database_code 1000432
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              196
_journal_page_last               203
_journal_paper_doi               10.1016/0022-4596(83)90188-3
_journal_volume                  50
_journal_year                    1983
_chemical_formula_sum            'Fe0.5 Li0.5 O2 Sn0.5'
_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_length_a                   3.066
_cell_length_b                   5.066
_cell_length_c                   9.874
_cell_formula_units_Z            4
_cell_volume                     153.366
_database_code_amcsd             0013515
_exptl_crystal_density_diffrn    5.316
_cod_duplicate_entry             1000432
_cod_original_formula_sum        'Li.5 (Fe.5 Sn.5) O2'
_cod_database_code               9016360
_amcsd_formula_title             LiFeSnO4
Argesite, (NH4)7Bi3Cl16, a new mineral from La Fossa Crater, Vulcano, Aeolian Islands, Italy: A first example of the [Bi2Cl10]4- anion
Demartin, F.; Campostrini, I.; Castellano, C.; Gramaccioli, C. M.; American Mineralogist 97 (2012) 1446–1451; doi:10.2138/am.2012.4052

data_9016361
_publ_section_title
;
 Argesite, (NH4)7Bi3Cl16, a new mineral from La Fossa Crater, Vulcano,
 Aeolian Islands, Italy: A first example of the [Bi2Cl10]4- anion
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1446
_journal_page_last               1451
_journal_paper_doi               10.2138/am.2012.4052
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source
'La Fossa Crater, Vulcano, Aeolian Islands, Italy'
_chemical_formula_sum            'Bi9 Br4.272 Cl43.728 H21 K3.627 N17.373'
_chemical_name_mineral           Argesite
_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                   13.093
_cell_length_b                   13.093
_cell_length_c                   102.682
_cell_formula_units_Z            6
_cell_volume                     15244.153
_database_code_amcsd             0019257
_exptl_crystal_density_diffrn    2.731
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_original_formula_sum        'Bi9 Cl43.728 Br4.272 N17.373 H21 K3.627'
_cod_database_code               9016361
Cation ordering over short-range and long-range scales in the MgAl2O4-CuAl2O4 series Sample: CuAl70aw
Fregola, R. A.; Bosi, F.; Skogby, H.; Halenius, U.; American Mineralogist 97 (2012) 1821–1827; doi:10.2138/am.2012.4177

data_9016362
_publ_section_title
;
 Cation ordering over short-range and long-range scales
 in the MgAl2O4-CuAl2O4 series
 Sample: CuAl70aw
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1821
_journal_page_last               1827
_journal_paper_doi               10.2138/am.2012.4177
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Al1.99 Cu0.41 Mg0.59 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                   8.0852
_cell_length_b                   8.0852
_cell_length_c                   8.0852
_cell_formula_units_Z            8
_cell_volume                     528.533
_database_code_amcsd             0019567
_exptl_crystal_density_diffrn    3.973
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Cu.41 Mg.59 Al1.99 O4'
_cod_database_code               9016362
Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 650 C Annealing time = 381 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_9016363
_publ_section_title
;
 Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels
 Note Sample F39, disordered at 1000 C for 24 h, then ordered at 650 C
 Annealing time = 381 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            'Al1.609 Fe0.389 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                   8.1471
_cell_length_b                   8.1471
_cell_length_c                   8.1471
_cell_formula_units_Z            8
_cell_volume                     540.766
_database_code_amcsd             0019291
_exptl_crystal_density_diffrn    3.771
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Al1.609 Mg1.002 Fe.389) O4'
_cod_database_code               9016363
Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 550 C Annealing time = 5340 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_9016364
_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 550 C
 Annealing time = 5340 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            'Al1.459 Fe0.539 Mg1.002 O4'
_chemical_name_mineral           Spinel
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.1684
_cell_length_b                   8.1684
_cell_length_c                   8.1684
_cell_formula_units_Z            8
_cell_volume                     545.018
_database_code_amcsd             0019315
_exptl_crystal_density_diffrn    3.847
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Al1.459 Mg1.002 Fe.539) O4'
_cod_database_code               9016364
Bernalite, Fe(OH)3, a new mineral from Broken Hill, New South Wales: Description and structure
Birch, W. D.; Pring, A.; Reller, A.; Schmalle, H. W.; American Mineralogist 78 (1993) 827–834; doi:

data_9016365
_publ_section_title
;
 Bernalite, Fe(OH)3, a new mineral from Broken Hill, New South Wales:
 Description and structure
;
_journal_name_full               'American Mineralogist'
_journal_page_first              827
_journal_page_last               834
_journal_volume                  78
_journal_year                    1993
_chemical_compound_source        'Broken Hill, New South Wales, Australia'
_chemical_formula_sum            'Fe4 H12.5 O12.25'
_chemical_name_mineral           Bernalite
_space_group_IT_number           71
_symmetry_space_group_name_Hall  '-I 2 2'
_symmetry_space_group_name_H-M   'I m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.544
_cell_length_b                   7.560
_cell_length_c                   7.558
_cell_volume                     431.053
_database_code_amcsd             0001607
_exptl_crystal_density_diffrn    3.328
_cod_original_formula_sum        'Fe4 O12.25 H12.5'
_cod_database_code               9016365
Die Kristallstrukturen einiger Hexachlorokomplexsalze. _cod_database_code 1010189
Engel, G.; Zeitschrift fur Kristallographie 90 (1935) 341–373; doi:

data_9016366
_publ_section_title
;
 Die Kristallstrukturen einiger Hexachlorokomplexsalze.
 _cod_database_code 1010189
;
_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 Te'
_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                   10.178
_cell_length_b                   10.178
_cell_length_c                   10.178
_cell_formula_units_Z            4
_cell_volume                     1054.356
_database_code_amcsd             0017125
_exptl_crystal_density_diffrn    2.320
_cod_duplicate_entry             1010189
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_original_formula_sum        'Te N2 Cl6'
_cod_database_code               9016366
_amcsd_formula_title             'Cl6 H8 N2 Te'
The refinement of the crystal structure of stillwellite: RE[BSiO5]
Callegari, A.; Giuseppetti, G.; Mazzi, F.; Tadini, C.; Neues Jahrbuch fur Mineralogie, Monatshefte 1992 (1992) 49–57; doi:

data_9016367
_publ_section_title
;
 The refinement of the crystal structure of stillwellite: RE[BSiO5]
;
_journal_name_full               'Neues Jahrbuch fur Mineralogie, Monatshefte'
_journal_page_first              49
_journal_page_last               57
_journal_volume                  1992
_journal_year                    1992
_chemical_compound_source        'Bassano Romano, Viterbo, Italy'
_chemical_formula_sum            'B Ce O5 Si'
_chemical_name_mineral           Stillwellite-(Ce)
_space_group_IT_number           144
_symmetry_space_group_name_Hall  'P 31'
_symmetry_space_group_name_H-M   'P 31'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   6.844
_cell_length_b                   6.844
_cell_length_c                   6.700
_cell_formula_units_Z            3
_cell_volume                     271.785
_database_code_amcsd             0018728
_exptl_crystal_density_diffrn    4.747
_cod_original_formula_sum        'Ce B Si O5'
_cod_database_code               9016367