LMucko/crystallography-open-database huggingface dataset:
Single-crystalline cooperite (PtS): Crystal-chemical characterization, ESR spectroscopy, and 195Pt NMR Spectroscopy Locality: Sea of Okhotsk region, Maimakansk zone, Far East
Rozhdestvina, V. I.; Ivanov, A. V.; Zaremba, M. A.; Antsutkin, O. N.; Forsling, W.; Crystallography Reports 53 (2008) 391–397; doi:10.1134/S106377450803005X

data_9012680
_publ_section_title
;
 Single-crystalline cooperite (PtS): Crystal-chemical characterization,
 ESR spectroscopy, and 195Pt NMR Spectroscopy
 Locality: Sea of Okhotsk region, Maimakansk zone, Far East
;
_journal_name_full               'Crystallography Reports'
_journal_page_first              391
_journal_page_last               397
_journal_paper_doi               10.1134/S106377450803005X
_journal_volume                  53
_journal_year                    2008
_chemical_formula_sum            'Fe0.001 Pt0.954 S1.045'
_chemical_name_mineral           Cooperite
_space_group_IT_number           131
_symmetry_space_group_name_Hall  '-P 4c 2'
_symmetry_space_group_name_H-M   'P 42/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.4710
_cell_length_b                   3.4710
_cell_length_c                   6.1084
_cell_volume                     73.593
_database_code_amcsd             0012408
_exptl_crystal_density_diffrn    9.913
_cod_original_formula_sum        'Pt.954 Fe.001 S1.045'
_cod_database_code               9012680
Calcio-olivine gamma-Ca2SiO4: I. Rietveld refinement of the crystal structure
Gobechiya, E. R.; Yamnova, N. A.; Zadov, A. E.; Gazeev, V. M.; Crystallography Reports 53 (2008) 404–408; doi:10.1134/S1063774508030073

data_9012681
_publ_section_title
;Calcio-olivine gamma-Ca2SiO4: I. Rietveld refinement of the crystal structure
;
_journal_name_full               'Crystallography Reports'
_journal_page_first              404
_journal_page_last               408
_journal_paper_doi               10.1134/S1063774508030073
_journal_volume                  53
_journal_year                    2008
_chemical_compound_source
'Lakargi Mountain, North Caucasus, Kabardino-Balkaria, Russia'
_chemical_formula_sum            'Ca2 O4 Si'
_chemical_name_mineral           Calcio-olivine
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.07389
_cell_length_b                   11.21128
_cell_length_c                   6.75340
_cell_formula_units_Z            4
_cell_volume                     384.166
_database_code_amcsd             0012409
_exptl_crystal_density_diffrn    2.978
_cod_original_formula_sum        'Ca2 Si O4'
_cod_database_code               9012681
A crystal structure of jinshajiangite from the Norra Karr complex (Sweden)
Rastsvetaeva, R. K.; Chukanov, N. V.; Rozenberg, K.; Crystallography Reports 53 (2008) 553–556; doi:10.1134/S1063774508040044

data_9012682
_publ_section_title
;
 A crystal structure of jinshajiangite from the Norra Karr complex (Sweden)
;
_journal_name_full               'Crystallography Reports'
_journal_page_first              553
_journal_page_last               556
_journal_paper_doi               10.1134/S1063774508040044
_journal_volume                  53
_journal_year                    2008
_chemical_compound_source        'Norra Karr alkaline complex, Sweden'
_chemical_formula_sum
'Ba1.44 Ca0.76 F2 Fe6 H8 K0.8 Mg0.5 Mn1.5 Na Nb0.2 O38 Si8 Ti3.6 Zr0.2'
_chemical_name_mineral           Jinshajiangite
_space_group_IT_number           10
_symmetry_space_group_name_Hall  '-P 2y'
_symmetry_space_group_name_H-M   'P 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 99.83
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   5.350
_cell_length_b                   6.909
_cell_length_c                   20.96
_cell_volume                     763.373
_database_code_amcsd             0012410
_exptl_crystal_density_diffrn    3.916
_cod_original_formula_sum
'Ba1.44 K.8 Na Ca.76 Si8 Ti3.6 Nb.2 Zr.2 (Fe6 Mn1.5) Mg.5 O38 F2 H8'
_cod_database_code               9012682
Crystal structure of the (Mg,Fe)[UO2(P,As)O4]2*10H2O solid solution- a novel mineral variety of saleeite
Yakubovich, O. V.; Steele, I. M.; Atencio, D.; Menezes, L. A.; Chukanov, N. V.; Crystallography Reports 53 (2008) 764–770; doi:10.1134/S1063774508050064

data_9012683
_publ_section_title
;
 Crystal structure of the (Mg,Fe)[UO2(P,As)O4]2*10H2O solid solution-
 a novel mineral variety of saleeite
;
_journal_name_full               'Crystallography Reports'
_journal_page_first              764
_journal_page_last               770
_journal_paper_doi               10.1134/S1063774508050064
_journal_volume                  53
_journal_year                    2008
_chemical_compound_source
'Eduardo Mine, Galileia County, Minas Gerais, Brazil'
_chemical_formula_sum            'As0.66 Fe0.19 H20 Mg0.81 O22 P1.34 U2'
_chemical_name_mineral           Saleeite
_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                 90.806
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.952
_cell_length_b                   19.865
_cell_length_c                   6.969
_cell_volume                     962.334
_database_code_amcsd             0012411
_exptl_crystal_density_diffrn    3.346
_cod_original_formula_sum        '(Mg.81 Fe.19) O22 H20 U2 (P1.34 As.66)'
_cod_database_code               9012683
Structural model of uramarsite
Rastsvetaeva, R. K.; Sidorenko, G. A.; Ivanova, A. G.; Chukanov, N. V.; Crystallography Reports 53 (2008) 771–774; doi:10.1134/S1063774508050076

data_9012684
_publ_section_title
;
 Structural model of uramarsite
;
_journal_name_full               'Crystallography Reports'
_journal_page_first              771
_journal_page_last               774
_journal_paper_doi               10.1134/S1063774508050076
_journal_volume                  53
_journal_year                    2008
_chemical_compound_source        'South Kazakhstan'
_chemical_formula_sum            'As1.22 H12.72 N1.15 Na0.09 O18 P0.78 U2'
_chemical_name_mineral           Uramarsite
_space_group_IT_number           1
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_cell_angle_alpha                90.13
_cell_angle_beta                 90.09
_cell_angle_gamma                89.96
_cell_formula_units_Z            1
_cell_length_a                   7.173
_cell_length_b                   7.167
_cell_length_c                   9.30
_cell_volume                     478.101
_database_code_amcsd             0012412
_exptl_crystal_density_diffrn    3.163
_cod_original_formula_sum        'N1.15 H12.72 Na.09 U2 As1.22 P.78 O18'
_cod_database_code               9012684
The crystal structure of giuseppettite, the 16-layer member of the cancrinite- sodalite group Locality: Sacrofano, Biachella Valley, Latium, Italy
Bonaccorsi, E.; Microporous and Mesoporous Materials 73 (2004) 129–136; doi:10.1016/j.micromeso.2004.05.007

data_9012685
_publ_section_title
;The crystal structure of giuseppettite, the 16-layer member of the
 cancrinite- sodalite group Locality: Sacrofano, Biachella Valley, Latium,
 Italy
;
_journal_name_full               'Microporous and Mesoporous Materials'
_journal_page_first              129
_journal_page_last               136
_journal_paper_doi               10.1016/j.micromeso.2004.05.007
_journal_volume                  73
_journal_year                    2004
_chemical_compound_source        'Sacrofano, Biachella Valley, Latium, Italy'
_chemical_formula_sum
'Al24 Ca2.665 Cl H10 K8.076 Na21.256 O118.45 S5 Si24'
_chemical_name_mineral           Giuseppettite
_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                   12.856
_cell_length_b                   12.856
_cell_length_c                   42.256
_cell_volume                     6048.264
_database_code_amcsd             0014409
_exptl_crystal_density_diffrn    2.380
_cod_original_formula_sum
'Na21.256 K8.076 Ca2.665 Si24 Al24 O118.45 S5 Cl H10'
_cod_database_code               9012685
The crystal structure of the high temperature form of Ta2O2
Stephenson, N. C.; Roth, R. S.; Journal of Solid State Chemistry 3 (1971) 145–153; doi:10.1016/0022-4596(71)90018-1

data_9012686
_publ_section_title
;
 The crystal structure of the high temperature form of Ta2O2
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              145
_journal_page_last               153
_journal_paper_doi               10.1016/0022-4596(71)90018-1
_journal_volume                  3
_journal_year                    1971
_chemical_compound_source        Synthetic
_chemical_formula_sum            'O7.5 Sc0.06 Ta2.94'
_chemical_name_mineral           Tantite
_space_group_IT_number           5
_symmetry_space_group_name_Hall  'I 2y'
_symmetry_space_group_name_H-M   'I 1 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   3.810
_cell_length_b                   3.810
_cell_length_c                   35.764
_cell_formula_units_Z            4
_cell_volume                     519.154
_database_code_amcsd             0013292
_exptl_crystal_density_diffrn    8.376
_cod_original_sg_symbol_H-M      'I 2'
_cod_original_formula_sum        '(Ta2.94 Sc.06) O7.5'
_cod_database_code               9012686
Crystal structure of a new natural modification of Na2Zr[Si2O7]
Voronkov, A. A.; Shumyatskaya, N. G.; Pyatenko, Y. A.; Journal of Structural Chemistry 11 (1970) 866–867; doi:10.1007/BF00743401

data_9012687
_publ_section_title
;
 Crystal structure of a new natural modification of Na2Zr[Si2O7]
;
_journal_name_full               'Journal of Structural Chemistry'
_journal_page_first              866
_journal_page_last               867
_journal_paper_doi               10.1007/BF00743401
_journal_volume                  11
_journal_year                    1970
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Na2 O7 Si2 Zr'
_chemical_name_mineral           Parakeldyshite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                92.75
_cell_angle_beta                 94.25
_cell_angle_gamma                72.33
_cell_length_a                   6.66
_cell_length_b                   8.83
_cell_length_c                   5.42
_cell_formula_units_Z            2
_cell_volume                     302.756
_database_code_amcsd             0014056
_exptl_crystal_density_diffrn    3.350
_cod_original_formula_sum        'Na2 Zr Si2 O7'
_cod_database_code               9012687
New data on the crystal structures of colusites and arsenosulvanites Sample: 1
Frank-Kamenetskaya O V; Rozhdestvenskaya, I. V.; Yanulova, L. A.; Journal of Structural Chemistry 43 (2002) 89–100; doi:10.1023/A:1016077917390

data_9012688
_publ_section_title
;
 New data on the crystal structures of colusites and arsenosulvanites
 Sample: 1
;
_journal_name_full               'Journal of Structural Chemistry'
_journal_page_first              89
_journal_page_last               100
_journal_paper_doi               10.1023/A:1016077917390
_journal_volume                  43
_journal_year                    2002
_chemical_compound_source        'Pai-Khoi, Arkhangelsk region'
_chemical_formula_sum            'As2.79 Cu12.55 S16 V1.11'
_chemical_name_mineral           Colusite
_space_group_IT_number           218
_symmetry_space_group_name_Hall  'P -4n 2 3'
_symmetry_space_group_name_H-M   'P -4 3 n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.527
_cell_length_b                   10.527
_cell_length_c                   10.527
_cell_volume                     1166.578
_database_code_amcsd             0014060
_exptl_crystal_density_diffrn    4.487
_cod_original_formula_sum        'Cu12.55 V1.11 As2.79 S16'
_cod_database_code               9012688
New data on the crystal structures of colusites and arsenosulvanites Sample: 2
Frank-Kamenetskaya O V; Rozhdestvenskaya, I. V.; Yanulova, L. A.; Journal of Structural Chemistry 43 (2002) 89–100; doi:10.1023/A:1016077917390

data_9012689
_publ_section_title
;
 New data on the crystal structures of colusites and arsenosulvanites
 Sample: 2
;
_journal_name_full               'Journal of Structural Chemistry'
_journal_page_first              89
_journal_page_last               100
_journal_paper_doi               10.1023/A:1016077917390
_journal_volume                  43
_journal_year                    2002
_chemical_compound_source        'Butte, Montana, USA'
_chemical_formula_sum            'As2.1 Cu12.67 Ge0.6 S16 Sb0.24 Sn0.06 V0.9'
_chemical_name_mineral           Colusite
_space_group_IT_number           218
_symmetry_space_group_name_Hall  'P -4n 2 3'
_symmetry_space_group_name_H-M   'P -4 3 n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.600
_cell_length_b                   10.600
_cell_length_c                   10.600
_cell_volume                     1191.016
_database_code_amcsd             0014061
_exptl_crystal_density_diffrn    4.465
_cod_original_formula_sum        'Cu12.67 V.9 (As2.1 Sb.24 Sn.06 Ge.6) S16'
_cod_database_code               9012689
New data on the crystal structures of colusites and arsenosulvanites Sample: 3
Frank-Kamenetskaya O V; Rozhdestvenskaya, I. V.; Yanulova, L. A.; Journal of Structural Chemistry 43 (2002) 89–100; doi:10.1023/A:1016077917390

data_9012690
_publ_section_title
;
 New data on the crystal structures of colusites and arsenosulvanites
 Sample: 3
;
_journal_name_full               'Journal of Structural Chemistry'
_journal_page_first              89
_journal_page_last               100
_journal_paper_doi               10.1023/A:1016077917390
_journal_volume                  43
_journal_year                    2002
_chemical_compound_source        'Kafan, Mongolia'
_chemical_formula_sum            'As1.8 Cu12.92 S16 Sb0.3 Sn0.9 V'
_chemical_name_mineral           Colusite
_space_group_IT_number           218
_symmetry_space_group_name_Hall  'P -4n 2 3'
_symmetry_space_group_name_H-M   'P -4 3 n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.653
_cell_length_b                   10.653
_cell_length_c                   10.653
_cell_volume                     1208.971
_database_code_amcsd             0014062
_exptl_crystal_density_diffrn    4.569
_cod_original_formula_sum        'Cu12.92 V (As1.8 Sb.3 Sn.9) S16'
_cod_database_code               9012690
A crystal chemical study of stishovite
Hill, R. J.; Newton, M. D.; Gibbs, G. V.; Journal of Solid State Chemistry 47 (1983) 185–200; doi:10.1016/0022-4596(83)90007-5

data_9012691
_publ_section_title
;
 A crystal chemical study of stishovite
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              185
_journal_page_last               200
_journal_paper_doi               10.1016/0022-4596(83)90007-5
_journal_volume                  47
_journal_year                    1983
_chemical_compound_source        Synthetic
_chemical_formula_sum            'O2 Si'
_chemical_name_mineral           Stishovite
_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                   4.1773
_cell_length_b                   4.1773
_cell_length_c                   2.6655
_cell_formula_units_Z            2
_cell_volume                     46.513
_database_code_amcsd             0013504
_exptl_crystal_density_diffrn    4.290
_cod_original_formula_sum        'Si O2'
_cod_database_code               9012691
A powder neutron diffraction investigation of vacancy ordering and covalence in gamma-Fe2O3 Locality: synthetic Sample: T = 4 K
Greaves, C.; Journal of Solid State Chemistry 49 (1983) 325–333; doi:10.1016/S0022-4596(83)80010-3

data_9012692
_publ_section_title
;A powder neutron diffraction investigation of vacancy ordering and covalence
 in gamma-Fe2O3 Locality: synthetic Sample: T = 4 K
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              325
_journal_page_last               333
_journal_paper_doi               10.1016/S0022-4596(83)80010-3
_journal_volume                  49
_journal_year                    1983
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Fe2 O3'
_chemical_name_mineral           Maghemite
_space_group_IT_number           96
_symmetry_space_group_name_Hall  'P 4nw 2abw'
_symmetry_space_group_name_H-M   'P 43 21 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.3396
_cell_length_b                   8.3396
_cell_length_c                   8.3220
_cell_formula_units_Z            10
_cell_volume                     578.786
_database_code_amcsd             0013508
_diffrn_ambient_temperature      4
_exptl_crystal_density_diffrn    4.887
_cod_database_code               9012692
Structure cristalline a 295K de la phase ferroelectrique Li0.02Na0.98Nb O3 Note: x(O3) corrected to match reported bond lengths
von der Muhll, R.; Sadel, A.; Hagenmuller, P.; Journal of Solid State Chemistry 51 (1984) 176–182; doi:10.1016/0022-4596(84)90331-1

data_9012693
_publ_section_title
;
 Structure cristalline a 295K de la phase ferroelectrique Li0.02Na0.98Nb O3
 Note: x(O3) corrected to match reported bond lengths
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              176
_journal_page_last               182
_journal_paper_doi               10.1016/0022-4596(84)90331-1
_journal_volume                  51
_journal_year                    1984
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Li0.02 Na0.98 Nb O3'
_chemical_name_mineral           Lueshite
_space_group_IT_number           29
_symmetry_space_group_name_Hall  'P -2bc -2c'
_symmetry_space_group_name_H-M   'P c 21 b'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.494
_cell_length_b                   15.461
_cell_length_c                   5.551
_cell_formula_units_Z            8
_cell_volume                     471.517
_database_code_amcsd             0013521
_exptl_crystal_density_diffrn    4.608
_cod_original_formula_sum        '(Li.02 Na.98) Nb O3'
_cod_database_code               9012693
Monoxyde quadratique PbO alpha(I): Description de la transition structurale ferroelastique Method: Neutron Diffraction T = 2 K Locality: synthetic
Boher, P.; Garnier, P.; Gavarri, J. R.; Hewat, A. W.; Journal of Solid State Chemistry 57 (1985) 343–350; doi:10.1016/0022-4596(85)90197-5

data_9012694
_publ_section_title
;Monoxyde quadratique PbO alpha(I): Description de la transition structurale
 ferroelastique Method: Neutron Diffraction T = 2 K Locality: synthetic
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              343
_journal_page_last               350
_journal_paper_doi               10.1016/0022-4596(85)90197-5
_journal_volume                  57
_journal_year                    1985
_chemical_compound_source        Synthetic
_chemical_formula_sum            'O Pb'
_chemical_name_mineral           Litharge
_space_group_IT_number           67
_symmetry_space_group_name_Hall  '-C 2a 2'
_symmetry_space_group_name_H-M   'C m m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.6124
_cell_length_b                   5.6089
_cell_length_c                   4.9924
_cell_formula_units_Z            4
_cell_volume                     157.158
_database_code_amcsd             0013536
_diffrn_ambient_temperature      2
_exptl_crystal_density_diffrn    9.433
_cod_original_formula_sum        'Pb O'
_cod_database_code               9012694
Monoxyde quadratique PbO alpha(I): Description de la transition structurale ferroelastique Method: Neutron Diffraction T = 30 K Locality: synthetic
Boher, P.; Garnier, P.; Gavarri, J. R.; Hewat, A. W.; Journal of Solid State Chemistry 57 (1985) 343–350; doi:10.1016/0022-4596(85)90197-5

data_9012695
_publ_section_title
;Monoxyde quadratique PbO alpha(I): Description de la transition structurale
 ferroelastique Method: Neutron Diffraction T = 30 K Locality: synthetic
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              343
_journal_page_last               350
_journal_paper_doi               10.1016/0022-4596(85)90197-5
_journal_volume                  57
_journal_year                    1985
_chemical_compound_source        Synthetic
_chemical_formula_sum            'O Pb'
_chemical_name_mineral           Litharge
_space_group_IT_number           67
_symmetry_space_group_name_Hall  '-C 2a 2'
_symmetry_space_group_name_H-M   'C m m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.6112
_cell_length_b                   5.6091
_cell_length_c                   4.9935
_cell_formula_units_Z            4
_cell_volume                     157.164
_database_code_amcsd             0013537
_diffrn_ambient_temperature      30
_exptl_crystal_density_diffrn    9.433
_cod_original_formula_sum        'Pb O'
_cod_database_code               9012695
Monoxyde quadratique PbO alpha(I): Description de la transition structurale ferroelastique Method: Neutron Diffraction T = 77 K Locality: synthetic
Boher, P.; Garnier, P.; Gavarri, J. R.; Hewat, A. W.; Journal of Solid State Chemistry 57 (1985) 343–350; doi:10.1016/0022-4596(85)90197-5

data_9012696
_publ_section_title
;Monoxyde quadratique PbO alpha(I): Description de la transition structurale
 ferroelastique Method: Neutron Diffraction T = 77 K Locality: synthetic
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              343
_journal_page_last               350
_journal_paper_doi               10.1016/0022-4596(85)90197-5
_journal_volume                  57
_journal_year                    1985
_chemical_compound_source        Synthetic
_chemical_formula_sum            'O Pb'
_chemical_name_mineral           Litharge
_space_group_IT_number           67
_symmetry_space_group_name_Hall  '-C 2a 2'
_symmetry_space_group_name_H-M   'C m m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.6118
_cell_length_b                   5.6114
_cell_length_c                   4.9988
_cell_formula_units_Z            4
_cell_volume                     157.412
_database_code_amcsd             0013538
_diffrn_ambient_temperature      77
_exptl_crystal_density_diffrn    9.418
_cod_original_formula_sum        'Pb O'
_cod_database_code               9012696