LMucko/crystallography-open-database huggingface dataset:
Ricerche cristallografiche sui sali dell acido cloroso _cod_database_code 1010621
Levi, G.; Scherillo, A.; Zeitschrift fur Kristallographie 76 (1931) 431–452; doi:

data_9016568
_publ_section_title
;
 Ricerche cristallografiche sui sali dell acido cloroso
 _cod_database_code 1010621
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              431
_journal_page_last               452
_journal_volume                  76
_journal_year                    1931
_chemical_formula_sum            'Cl H4 N O2'
_space_group_IT_number           100
_symmetry_space_group_name_Hall  'P 4 -2ab'
_symmetry_space_group_name_H-M   'P 4 b m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.3
_cell_length_b                   6.3
_cell_length_c                   6.3
_cell_volume                     250.047
_database_code_amcsd             0017503
_exptl_crystal_density_diffrn    0.657
_cod_duplicate_entry             1010621
_cod_original_formula_sum        'N Cl'
_cod_database_code               9016568
_amcsd_formula_title             'Cl H4 N O2'
Structure cristalline de (N H2)2 C O, Sb F3 _cod_database_code 1008257
Bourgault, M.; Fourcade, R.; Ducourant, B.; Mascherpa, G.; Revue de Chimie Minerale 16 (1979) 151–156; doi:

data_9016569
_publ_section_title
;
 Structure cristalline de (N H2)2 C O, Sb F3
 _cod_database_code 1008257
;
_journal_name_full               'Revue de Chimie Minerale'
_journal_page_first              151
_journal_page_last               156
_journal_volume                  16
_journal_year                    1979
_chemical_formula_sum            'C F3 N2 O Sb'
_space_group_IT_number           29
_symmetry_space_group_name_Hall  'P 2c -2ac'
_symmetry_space_group_name_H-M   'P c a 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.846
_cell_length_b                   8.378
_cell_length_c                   7.241
_cell_formula_units_Z            4
_cell_volume                     536.643
_database_code_amcsd             0016179
_exptl_crystal_density_diffrn    2.906
_cod_duplicate_entry             1008257
_cod_original_formula_sum        'Sb F3 O C N2'
_cod_database_code               9016569
_amcsd_formula_title             'F3 H4 N2 O Sb'
Static disorders of atoms and experimental determination of Debye temperature in pyrope: Low- and high-temperature single-crystal X-ray diffraction study Note: T = 523.0 K
Nakatsuka, A.; Shimokawa, M.; Nakayama, N.; Ohtaka, O.; Arima, H.; Okube, M.; Yoshiasa, A.; American Mineralogist 96 (2011) 1593–1605; doi:10.2138/am.2011.3714

data_9016570
_publ_section_title
;
 Static disorders of atoms and experimental determination of Debye temperature in
 pyrope: Low- and high-temperature single-crystal X-ray diffraction study
 Note: T = 523.0 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1593
_journal_page_last               1605
_journal_paper_doi               10.2138/am.2011.3714
_journal_volume                  96
_journal_year                    2011
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Al2 Mg3 O12 Si3'
_chemical_name_mineral           Pyrope
_space_group_IT_number           230
_symmetry_space_group_name_Hall  '-I 4bd 2c 3'
_symmetry_space_group_name_H-M   'I a -3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   11.4801
_cell_length_b                   11.4801
_cell_length_c                   11.4801
_cell_formula_units_Z            8
_cell_volume                     1512.993
_database_code_amcsd             0018546
_exptl_crystal_density_diffrn    3.540
_cod_original_formula_sum        'Mg3 Al2 Si3 O12'
_cod_database_code               9016570
The Stereochemistry of Quadricovalent Atoms: Copper and Silver _cod_database_code 1010483
Cox, E.; Wardlaw, W.; Webster, K.; Journal of the Chemical Society 1936 (1936) 775–781; doi:

data_9016571
_publ_section_title
;
 The Stereochemistry of Quadricovalent Atoms: Copper and Silver
 _cod_database_code 1010483
;
_journal_name_full               'Journal of the Chemical Society'
_journal_page_first              775
_journal_page_last               781
_journal_volume                  1936
_journal_year                    1936
_chemical_formula_sum            'C8 Ag Cl N4 S4'
_space_group_IT_number           82
_symmetry_space_group_name_Hall  'I -4'
_symmetry_space_group_name_H-M   'I -4'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   12.59
_cell_length_b                   12.59
_cell_length_c                   5.37
_cell_formula_units_Z            2
_cell_volume                     851.188
_database_code_amcsd             0017399
_exptl_crystal_density_diffrn    1.653
_cod_duplicate_entry             1010483
_cod_original_cell_volume        851.189
_cod_original_formula_sum        'S4 C8 N4 Cl Ag'
_cod_database_code               9016571
_amcsd_formula_title             'Ag Cl H20 N4 S4'
A new high-pressure phase transition in natural Fe-bearing orthoenstatite Note: P = 12.66 GPa
Zhang, J. S.; Dera, P.; Bass, J. D.; American Mineralogist 97 (2012) 1070–1074; doi:10.2138/am.2012.4072

data_9016572
_publ_section_title
;
 A new high-pressure phase transition in natural Fe-bearing orthoenstatite
 Note: P = 12.66 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1070
_journal_page_last               1074
_journal_paper_doi               10.2138/am.2012.4072
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source        'San Carlos, Arizona, USA'
_chemical_formula_sum            'Fe0.087 Mg0.913 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                   17.868
_cell_length_b                   8.491
_cell_length_c                   5.0565
_cell_formula_units_Z            16
_cell_volume                     767.158
_database_code_amcsd             0019068
_exptl_crystal_density_diffrn    3.572
_cod_original_formula_sum        '(Mg.913 Fe.087) Si O3'
_cod_database_code               9016572
The calcium-potassium cyclodecaphosphate hexadecahydrate: Ca4K2P10O30*16(H2O) _cod_database_code 1007233
Averbuch-Pouchot M; Durif, A.; Schuelke, U.; European Journal of Solid State and Inorganic Chemistry 33 (1996) 1091–1100; doi:

data_9016573
_publ_section_title
;
 The calcium-potassium cyclodecaphosphate hexadecahydrate: Ca4K2P10O30*16(H2O)
 _cod_database_code 1007233
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              1091
_journal_page_last               1100
_journal_volume                  33
_journal_year                    1996
_chemical_formula_sum            'Ca2 K O23 P5'
_space_group_IT_number           33
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   14.773
_cell_length_b                   15.758
_cell_length_c                   19.91409
_cell_formula_units_Z            8
_cell_volume                     4635.859
_database_code_amcsd             0015915
_exptl_crystal_density_diffrn    1.840
_cod_original_formula_sum        'Ca2 K P5 O23'
_cod_database_code               9016573
_amcsd_formula_title             Ca4K2P10O30*16(H2O)
Magnetic and low-temperature structural behavior of clinopyroxene-type FeGeO3: A neutron diffraction, magnetic susceptibility, and Fe Mossbauer study T = 30 K
Redhammer, G. J.; Senyshyn, A.; Tippelt, G.; Pietzonka, C.; Treutmann, W.; Roth, G.; Amthauer, G.; American Mineralogist 97 (2012) 694–706; doi:10.2138/am.2012.3995

data_9016574
_publ_section_title
;
 Magnetic and low-temperature structural behavior of clinopyroxene-type FeGeO3:
 A neutron diffraction, magnetic susceptibility, and Fe Mossbauer study
 T = 30 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              694
_journal_page_last               706
_journal_paper_doi               10.2138/am.2012.3995
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Fe Ge O3'
_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                 101.754
_cell_angle_gamma                90
_cell_length_a                   9.7840
_cell_length_b                   9.1342
_cell_length_c                   5.1924
_cell_formula_units_Z            8
_cell_volume                     454.309
_database_code_amcsd             0019006
_exptl_crystal_density_diffrn    5.160
_cod_database_code               9016574
_amcsd_formula_title             FeGeO3
High-pressure study of a natural cancrinite Note: P = 0.0001 GPa (P-AIR)
Lotti, P.; Gatta, G. D.; Rotiroti, N.; Camara, F.; American Mineralogist 97 (2012) 872–882; doi:10.2138/am.2012.4039

data_9016575
_publ_section_title
;
 High-pressure study of a natural cancrinite
 Note: P = 0.0001 GPa (P-AIR)
;
_journal_name_full               'American Mineralogist'
_journal_page_first              872
_journal_page_last               882
_journal_paper_doi               10.2138/am.2012.4039
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source        Cameroun
_chemical_formula_sum            'C0.88 H2 Al3 Ca0.438 Na3.522 O15.64 Si3'
_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                   12.5976
_cell_length_b                   12.5976
_cell_length_c                   5.1168
_cell_volume                     703.242
_database_code_amcsd             0019024
_exptl_crystal_density_diffrn    2.487
_cod_original_formula_sum        'Si3 Al3 O15.64 Na3.522 Ca.438 C.88 H2'
_cod_database_code               9016575
Structural and conductivity properties of Bi(0.775) Ln(0.225) O1.5 oxide conductors (Ln = La, Pr, Nd, Sm, Eu, Gd, Tb, Dy) with rhombohedral Bi-Sr-O type _cod_database_code 1004139
Drache, M.; Obbade, S.; Wignacourt, J.; Conflant, P.; Journal of Solid State Chemistry 142 (1999) 349–359; doi:10.1006/jssc.1998.8043

data_9016576
_publ_section_title
;
 Structural and conductivity properties of Bi(0.775) Ln(0.225) O1.5
 oxide conductors (Ln = La, Pr, Nd, Sm, Eu, Gd, Tb, Dy) with
 rhombohedral Bi-Sr-O type
 _cod_database_code 1004139
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              349
_journal_page_last               359
_journal_paper_doi               10.1006/jssc.1998.8043
_journal_volume                  142
_journal_year                    1999
_chemical_formula_sum            'Bi2.325 Eu0.675 O4.5'
_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                   3.9736
_cell_length_b                   3.9736
_cell_length_c                   27.353
_cell_formula_units_Z            3
_cell_volume                     374.028
_database_code_amcsd             0013963
_exptl_crystal_density_diffrn    8.796
_cod_duplicate_entry             1004139
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_original_formula_sum        'Bi2.325 Eu.675 O4.5'
_cod_database_code               9016576
_amcsd_formula_title             'Bi0.775 Eu0.225 O1.5'
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 = 0 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_9016577
_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 = 0 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 Fe0.391 Mg 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                   8.1470
_cell_length_b                   8.1470
_cell_length_c                   8.1470
_cell_formula_units_Z            8
_cell_volume                     540.746
_database_code_amcsd             0019284
_exptl_crystal_density_diffrn    3.772
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Al1.609 Mg Fe.391) O4'
_cod_database_code               9016577
Carbobystrite, Na8[Al6Si6O24](CO3)*4H2O, a new cancrinite-group mineral species from the Khibina Alkaline massif, Kola Peninsula, Russia: Description and crystal structure
Khomyakov, A. P.; Camara, F.; Sokolova, E.; The Canadian Mineralogist 48 (2010) 291–300; doi:10.3749/canmin.48.2.291

data_9016578
_publ_section_title
;
 Carbobystrite, Na8[Al6Si6O24](CO3)*4H2O, a new cancrinite-group mineral species
 from the Khibina Alkaline massif, Kola Peninsula, Russia: Description and crystal structure
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              291
_journal_page_last               300
_journal_paper_doi               10.3749/canmin.48.2.291
_journal_volume                  48
_journal_year                    2010
_chemical_compound_source
'the Khibina Alkaline massif, Kola Peninsula, Russia'
_chemical_formula_sum            'C H6.96 Al6 K0.36 Na7.561 O30.48 Si6'
_chemical_name_mineral           Carbobystrite
_space_group_IT_number           159
_symmetry_space_group_name_Hall  'P 3 -2c'
_symmetry_space_group_name_H-M   'P 3 1 c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   12.6678
_cell_length_b                   12.6678
_cell_length_c                   10.3401
_cell_volume                     1437.003
_database_code_amcsd             0006331
_exptl_crystal_density_diffrn    2.369
_cod_original_formula_sum        'Na7.561 K.36 Si6 Al6 O30.48 C H6.96'
_cod_database_code               9016578
The Crystal Structures of Barytes, Celestine and Anglesite
James, R. W.; Wood, W. A.; Proceedings of the Royal Society of London A 109 (1925) 598–620; doi:10.1098/rspa.1925.0148

data_9016579
_publ_section_title
;
 The Crystal Structures of Barytes, Celestine and Anglesite
;
_journal_coden_ASTM              PRLAAZ
_journal_name_full
'Proceedings of the Royal Society of London A'
_journal_page_first              598
_journal_page_last               620
_journal_paper_doi               10.1098/rspa.1925.0148
_journal_volume                  109
_journal_year                    1925
_chemical_formula_sum            'Ba S'
_chemical_name_mineral           Baryte
_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                   8.85
_cell_length_b                   5.43
_cell_length_c                   7.13
_cell_volume                     342.636
_database_code_amcsd             0017447
_exptl_crystal_density_diffrn    3.284
_cod_duplicate_entry             1010542
_cod_depositor_comments
;
 Copied several data items from duplicate entry 1010542 and updated
 the bibliographic information.

 Antanas Vaitkus,
 2020-10-12
;
_cod_database_code               9016579
Structural basis for the anomalous low-temperature thermal expansion behavior of the gillespite-structured phase Ba0.5Sr0.5CuSi4O10 Sample: T = 150 K
Knight, K. S.; Henderson, C. M. B.; European Journal of Mineralogy 19 (2007) 189–200; doi:10.1127/0935-1221/2007/0019-1711

data_9016580
_publ_section_title
;
 Structural basis for the anomalous low-temperature thermal expansion
 behavior of the gillespite-structured phase Ba0.5Sr0.5CuSi4O10
 Sample: T = 150 K
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              189
_journal_page_last               200
_journal_paper_doi               10.1127/0935-1221/2007/0019-1711
_journal_volume                  19
_journal_year                    2007
_chemical_formula_sum            'Ba0.5 Cu O10 Si4 Sr0.5'
_chemical_name_mineral           Effenbergerite
_space_group_IT_number           130
_symmetry_space_group_name_Hall  '-P 4a 2ac'
_symmetry_space_group_name_H-M   'P 4/n c c :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.39482
_cell_length_b                   7.39482
_cell_length_c                   15.8504
_cell_formula_units_Z            4
_cell_volume                     866.753
_database_code_amcsd             0007203
_exptl_crystal_density_diffrn    3.436
_cod_original_sg_symbol_H-M      'P 4/n c c'
_cod_original_formula_sum        '(Ba.5 Sr.5) Cu Si4 O10'
_cod_database_code               9016580
_cod_duplicate_entry 9016109
The hydrogen positions in scorodite
Hawthorne, F. C.; Acta Crystallographica, Section B 32 (1976) 2891–2892; doi:10.1107/S0567740876009138

data_9016581
_publ_section_title
;
 The hydrogen positions in scorodite
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              2891
_journal_page_last               2892
_journal_paper_doi               10.1107/S0567740876009138
_journal_volume                  32
_journal_year                    1976
_chemical_compound_source        'not given'
_chemical_formula_sum            'As Fe H4 O6'
_chemical_name_mineral           Scorodite
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2bc 2ac'
_symmetry_space_group_name_H-M   'P c a b'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   8.937
_cell_length_b                   10.278
_cell_length_c                   9.996
_cell_volume                     918.177
_database_code_amcsd             0018660
_exptl_crystal_density_diffrn    3.339
_cod_original_formula_sum        'Fe As O6 H4'
_cod_database_code               9016581
Thermal expansion and crystal structure of cementite, Fe3C, between 4 and 600 K determined by time-of-flight neutron powder diffraction Note: T = 100 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_9016582
_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 = 100 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                   5.082
_cell_length_b                   6.736
_cell_length_c                   6.512
_cell_measurement_temperature    100
_cell_volume                     222.921
_database_code_amcsd             0019103
_diffrn_ambient_temperature      100
_exptl_crystal_density_diffrn    5.350
_cod_duplicate_entry             2300066
_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               9016582
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L28, disordered model
Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S.; The Canadian Mineralogist 49 (2011) 63–88; doi:10.3749/canmin.49.1.63

data_9016583
_publ_section_title
;
 Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar.
 I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy
 Sample: L28, disordered model
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              63
_journal_page_last               88
_journal_paper_doi               10.3749/canmin.49.1.63
_journal_volume                  49
_journal_year                    2011
_chemical_compound_source        'Anjanabonoina, central Madagascar'
_chemical_formula_sum
'Al7.203 B3 Ca0.63 F0.69 Fe0.123 H3.309 Li1.524 Mg0.069 Mn0.069 Na0.338 O30.309 Pb0.007 Si6 Ti0.012'
_chemical_name_mineral           Fluor-liddicoatite
_space_group_IT_number           160
_symmetry_space_group_name_Hall  'R 3 -2"'
_symmetry_space_group_name_H-M   'R 3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   15.8404
_cell_length_b                   15.8404
_cell_length_c                   7.1039
_cell_formula_units_Z            3
_cell_volume                     1543.689
_database_code_amcsd             0018451
_exptl_crystal_density_diffrn    3.081
_cod_original_sg_symbol_H-M      'R 3 m'
_cod_original_formula_sum
'Ca.63 Na.338 Pb.007 Ti.012 Al7.203 Fe.123 Mg.069 Mn.069 Li1.524 Si6 B3 F.69 O30.309 H3.309'
_cod_database_code               9016583