LMucko/crystallography-open-database huggingface dataset:
Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition Note: run P6, P = 18.37 GPa
Lavina, B.; Dera, P.; Downs, R. T.; Yang, W.; Sinogeikin, S.; Meng, Y.; Shen, G.; Schiferl, D.; Physical Review B 82 (2010) 064110–064118; doi:10.1103/PhysRevB.82.064110

data_9014761
_publ_section_title
;
 Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition
 Note: run P6, P = 18.37 GPa
;
_journal_name_full               'Physical Review B'
_journal_page_first              064110
_journal_page_last               064118
_journal_paper_doi               10.1103/PhysRevB.82.064110
_journal_volume                  82
_journal_year                    2010
_chemical_compound_source        'Invigtut, Greenland'
_chemical_formula_sum            'C Fe O3'
_chemical_name_mineral           Siderite
_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                   4.587
_cell_length_b                   4.587
_cell_length_c                   14.258
_cell_formula_units_Z            6
_cell_volume                     259.805
_database_code_amcsd             0017567
_exptl_crystal_density_diffrn    4.443
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_original_formula_sum        'Fe C O3'
_cod_database_code               9014761
Hezuolinite, (Sr,REE)4Zr(Ti,Fe3+,Fe2+)2Ti2O8(Si2O7)2, a new mineral species of the chevkinite group from Saima alkaline complex, Liaoning Province, NE China
Yang, Z.; Giester, G.; Ding, K.; Tillmanns, E.; European Journal of Mineralogy 24 (2012) 189–196; doi:10.1127/0935-1221/2011/0023-2158

data_9014762
_publ_section_title
;
 Hezuolinite, (Sr,REE)4Zr(Ti,Fe3+,Fe2+)2Ti2O8(Si2O7)2, a new mineral species of
 the chevkinite group from Saima alkaline complex, Liaoning Province, NE China
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              189
_journal_page_last               196
_journal_paper_doi               10.1127/0935-1221/2011/0023-2158
_journal_volume                  24
_journal_year                    2012
_chemical_compound_source
'Saima alkaline complex, Liaoning Province, NE China'
_chemical_formula_sum            'Ce0.6 Fe0.366 O22 Si4 Sr3.4 Ti3.724 Zr0.91'
_chemical_name_mineral           Hezuolinite
_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                 114.10
_cell_angle_gamma                90
_cell_length_a                   13.973
_cell_length_b                   5.6984
_cell_length_c                   11.988
_cell_formula_units_Z            2
_cell_volume                     871.327
_database_code_amcsd             0018979
_exptl_crystal_density_diffrn    4.300
_cod_original_formula_sum        '(Sr3.4 Ce.6) Zr.91 Fe.366 Ti3.724 Si4 O22'
_cod_database_code               9014762
Iron silicides and their corresponding oxides: a high-pressure study of Fe5Si3 Note: P = 8.8 GPa
Santamaria-Perez D; Nuss, J.; Haines, J.; Jansen, M.; Vegas, A.; Solid State Sciences 6 (2004) 673–678; doi:10.1016/j.solidstatesciences.2004.03.027

data_9014763
_publ_section_title
;
 Iron silicides and their corresponding oxides: a high-pressure study of Fe5Si3
 Note: P = 8.8 GPa
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              673
_journal_page_last               678
_journal_paper_doi               10.1016/j.solidstatesciences.2004.03.027
_journal_volume                  6
_journal_year                    2004
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Fe5 Si3'
_chemical_name_mineral           Xifengite
_space_group_IT_number           193
_symmetry_space_group_name_Hall  '-P 6c 2'
_symmetry_space_group_name_H-M   'P 63/m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   6.6904
_cell_length_b                   6.6904
_cell_length_c                   4.667
_cell_formula_units_Z            2
_cell_volume                     180.914
_database_code_amcsd             0019676
_exptl_crystal_density_diffrn    6.673
_cod_database_code               9014763
The effect of oxygen vacancies and aluminium substitution on the high-pressure properties of brownmillerite-structured Ca2Fe2-xAlxO5 Note: x = 0.0 Note: P = 2.249 GPa
Vanpeteghem, C. B.; Angel, R. J.; Zhao, J.; Ross, N. L.; Redhammer, G. J.; Seifert, F.; Physics and Chemistry of Minerals 35 (2008) 493–504; doi:10.1007/s00269-008-0244-4

data_9014764
_publ_section_title
;
 The effect of oxygen vacancies and aluminium substitution on the
 high-pressure properties of brownmillerite-structured Ca2Fe2-xAlxO5
 Note: x = 0.0
 Note: P = 2.249 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              493
_journal_page_last               504
_journal_paper_doi               10.1007/s00269-008-0244-4
_journal_volume                  35
_journal_year                    2008
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ca2 Fe2 O5'
_chemical_name_mineral           Brownmillerite
_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                   5.3956
_cell_length_b                   14.6756
_cell_length_c                   5.5703
_cell_formula_units_Z            4
_cell_volume                     441.077
_database_code_amcsd             0017760
_exptl_crystal_density_diffrn    4.094
_cod_database_code               9014764
Crystal structures of willemite Zn2[SiO4] and its germanium analog Zn2[GeO4]
Hang, C.; Simonov, M. A.; Belov, N. V.; Soviet Physics Crystallography 15 (1970) 387–390; doi:

data_9014765
_publ_section_title
;
 Crystal structures of willemite Zn2[SiO4] and its germanium analog Zn2[GeO4]
;
_journal_name_full               'Soviet Physics Crystallography'
_journal_page_first              387
_journal_page_last               390
_journal_volume                  15
_journal_year                    1970
_chemical_compound_source        Synthetic
_chemical_formula_sum            'O4 Si Zn2'
_chemical_name_mineral           Willemite
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-P 3*'
_symmetry_space_group_name_H-M   'R -3 :R'
_cell_angle_alpha                107.87
_cell_angle_beta                 107.87
_cell_angle_gamma                107.87
_cell_length_a                   8.628
_cell_length_b                   8.628
_cell_length_c                   8.628
_cell_formula_units_Z            6
_cell_volume                     521.689
_database_code_amcsd             0018744
_exptl_crystal_density_diffrn    4.256
_cod_original_sg_symbol_H-M      'R -3'
_cod_original_formula_sum        'Zn2 Si O4'
_cod_database_code               9014765
Crystal structure of beta-uranophane from the Transbaikal region and its relation to the structure of the a modification
Barinova, A. V.; Rastsvetaeva, R. K.; Sidorenko, G. A.; Verin, I. A.; Crystallography Reports 48 (2003) 12–15; doi:10.1134/1.1541735

data_9014766
_publ_section_title
;
 Crystal structure of beta-uranophane from the Transbaikal region
 and its relation to the structure of the a modification
;
_journal_name_full               'Crystallography Reports'
_journal_page_first              12
_journal_page_last               15
_journal_paper_doi               10.1134/1.1541735
_journal_volume                  48
_journal_year                    2003
_chemical_compound_source
'Streltsovkii ore field, Transbaikal region, Russia'
_chemical_formula_sum            'Ca H12 O17 Si2 U2'
_chemical_name_mineral           Uranophane-beta
_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                 91.300
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.947
_cell_length_b                   15.465
_cell_length_c                   6.626
_cell_volume                     1428.796
_database_code_amcsd             0018695
_exptl_crystal_density_diffrn    3.981
_cod_original_formula_sum        'Ca U2 Si2 O17 H12'
_cod_database_code               9014766
Crystal structure and crystal chemistry of fluoro-potassic-magnesio-arfvedsonite from Monte Metocha, Xixano region, Mozambique, and discussion of the holotype from Quebec, Canada
Oberti, R.; Boiocchi, M.; Hawthorne, F. C.; Robinson, P.; Mineralogical Magazine 74 (2010) 951–960; doi:10.1180/minmag.2010.074.6.951

data_9014767
_publ_section_title
;
 Crystal structure and crystal chemistry of fluoro-potassic-magnesio-arfvedsonite
 from Monte Metocha, Xixano region, Mozambique, and discussion of the holotype
 from Quebec, Canada
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              951
_journal_page_last               960
_journal_paper_doi               10.1180/minmag.2010.074.6.951
_journal_volume                  74
_journal_year                    2010
_chemical_compound_source        'Monte Metocha, Xixano region, Mozambique'
_chemical_formula_sum
'Al0.01 Ca0.19 F1.03 Fe1.73 H0.73 K0.98 Mg3.09 Mn0.04 Na1.81 O22.97 Si8 Ti0.12 Zn0.01'
_chemical_name_mineral           Fluoro-potassic-magnesio-arfvedsonite
_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                 104.340
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.9591
_cell_length_b                   17.9529
_cell_length_c                   5.2867
_cell_volume                     915.783
_database_code_amcsd             0018304
_exptl_crystal_density_diffrn    3.194
_cod_original_formula_sum
'K.98 (Na1.81 Ca.19) Mg3.09 Fe1.73 Ti.12 Al.01 Zn.01 Mn.04 Si8 O22.97 F1.03 H.73'
_cod_database_code               9014767
A tri-alpha-PbO2 related structure:Li4ZnIn2F12 _cod_database_code 1000326
Maguer, J.; Courbion, G.; Journal of Solid State Chemistry 103 (1993) 466–471; doi:10.1006/jssc.1993.1124

data_9014768
_publ_section_title
;
 A tri-alpha-PbO2 related structure:Li4ZnIn2F12
 _cod_database_code 1000326
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              466
_journal_page_last               471
_journal_paper_doi               10.1006/jssc.1993.1124
_journal_volume                  103
_journal_year                    1993
_chemical_formula_sum            'F6 In Li2 Zn0.5'
_space_group_IT_number           60
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.7496
_cell_length_b                   17.606
_cell_length_c                   5.0617
_cell_formula_units_Z            4
_cell_volume                     423.267
_database_code_amcsd             0013772
_exptl_crystal_density_diffrn    4.322
_cod_duplicate_entry             1000326
_cod_original_formula_sum        'In Zn.5 Li2 F6'
_cod_database_code               9014768
_amcsd_formula_title             'F12 In2 Li4 Zn'
The structures of fibrous zeolites _cod_database_code 1011255
Taylor, W.; Meek, C.; Jackson, W.; Zeitschrift fur Kristallographie 84 (1933) 373–398; doi:

data_9014769
_publ_section_title
;
 The structures of fibrous zeolites
 _cod_database_code 1011255
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              373
_journal_page_last               398
_journal_volume                  84
_journal_year                    1933
_chemical_formula_sum            'Al2 Na2 O12 Si3'
_chemical_name_mineral           Natrolite
_space_group_IT_number           43
_symmetry_space_group_name_Hall  'F 2 -2d'
_symmetry_space_group_name_H-M   'F d d 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   18.29999
_cell_length_b                   18.59999
_cell_length_c                   6.57
_cell_formula_units_Z            8
_cell_volume                     2236.294
_database_code_amcsd             0018117
_exptl_crystal_density_diffrn    2.235
_cod_duplicate_entry             1011255
_cod_original_formula_sum        'O12 Si3 Al2 Na2'
_cod_database_code               9014769
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 #AU91
Liebscher, A.; Dorsam, G.; Franz, G.; Wunder, B.; Gottschalk, M.; American Mineralogist 95 (2010) 724–735; doi:10.2138/am.2010.3220

data_9014770
_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 #AU91
;
_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 Ca0.273 H4 O10 Si2 Sr0.727'
_chemical_name_mineral           Itoigawaite
_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                 124.39
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.3962
_cell_length_b                   13.2461
_cell_length_c                   5.8505
_cell_volume                     345.092
_database_code_amcsd             0018940
_exptl_crystal_density_diffrn    3.357
_cod_original_formula_sum        '(Ca.273 Sr.727) Al2 Si2 O10 H4'
_cod_database_code               9014770
Gemmological investigation of a synthetic blue beryl: a multi-methodological study Note: Sample: M2-3
Adamo, I.; Gatta, G. D.; Rotiroti, N.; Diella, V.; Pavese, A.; Mineralogical Magazine 72 (2008) 799–808; doi:10.1180/minmag.2008.072.3.799

data_9014771
_publ_section_title
;
 Gemmological investigation of a synthetic blue beryl: a multi-methodological study
 Note: Sample: M2-3
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              799
_journal_page_last               808
_journal_paper_doi               10.1180/minmag.2008.072.3.799
_journal_volume                  72
_journal_year                    2008
_chemical_compound_source        Synthetic
_chemical_formula_sum
'Al1.892 Be2.829 Cu0.171 Fe0.108 H0.96 Li0.12 O18.48 Si6'
_chemical_name_mineral           Beryl
_space_group_IT_number           192
_symmetry_space_group_name_Hall  '-P 6 2c'
_symmetry_space_group_name_H-M   'P 6/m c c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   9.2483
_cell_length_b                   9.2483
_cell_length_c                   9.2193
_cell_volume                     682.893
_database_code_amcsd             0019166
_exptl_crystal_density_diffrn    2.721
_cod_original_formula_sum
'(Be2.829 Cu.171) (Al1.892 Fe.108) Si6 O18.48 Li.12 H.96'
_cod_database_code               9014771
Temperature dependence of the structural parameters in the transformation of aragonite to calcite, as determined from in situ synchrotron powder X-ray-diffraction data Note: T = 379 C Note: P = 101 kPa
Antao, S. M.; Hassan, I.; The Canadian Mineralogist 48 (2010) 1225–1236; doi:10.3749/canmin.48.5.1225

data_9014772
_publ_section_title
;
 Temperature dependence of the structural parameters
 in the transformation of aragonite to calcite,
 as determined from in situ synchrotron powder X-ray-diffraction data
 Note: T = 379 C
 Note: P = 101 kPa
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1225
_journal_page_last               1236
_journal_paper_doi               10.3749/canmin.48.5.1225
_journal_volume                  48
_journal_year                    2010
_chemical_compound_source        'Cuenca, Spain'
_chemical_formula_sum            'C Ca O3'
_chemical_name_mineral           Calcite
_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                   4.974
_cell_length_b                   4.974
_cell_length_c                   17.251
_cell_formula_units_Z            6
_cell_volume                     369.621
_database_code_amcsd             0017853
_exptl_crystal_density_diffrn    2.698
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_original_formula_sum        'Ca C O3'
_cod_database_code               9014772
A structural study of cadmium yttrium molybdate Cd Y4 Mo3 O16
Bourdet, J.; Chevalier, R.; Fournier, J.; Kohlmuller, R.; Omaly, J.; Acta Crystallographica, Section B 38 (1982) 2371–2374; doi:10.1107/S0567740882008826

data_9014773
_publ_section_title
;
 A structural study of cadmium yttrium molybdate Cd Y4 Mo3 O16
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              2371
_journal_page_last               2374
_journal_paper_doi               10.1107/S0567740882008826
_journal_volume                  38
_journal_year                    1982
_chemical_formula_sum            'Cd0.5 Mo O4 Y2.5'
_space_group_IT_number           13
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.688
_cell_length_b                   10.688
_cell_length_c                   10.688
_cell_formula_units_Z            2
_cell_volume                     1220.926
_database_code_amcsd             0016130
_exptl_crystal_density_diffrn    1.193
_cod_duplicate_entry             1008194
_cod_original_sg_symbol_H-M      'P n -3 n'
_cod_original_formula_sum        'O4 Mo Y2.5 Cd.5'
_cod_database_code               9014773
_amcsd_formula_title             'Cd Mo3 O16 Y4'
Neutron diffraction study of orthorhombic BaTiO3 Note: orthorhombic structure
Shirane, G.; Danner, H.; Pepinsky, R.; Physical Review 105 (1957) 856–860; doi:10.1103/PhysRev.105.856

data_9014774
_publ_section_title
;
 Neutron diffraction study of orthorhombic BaTiO3
 Note: orthorhombic structure
;
_journal_name_full               'Physical Review'
_journal_page_first              856
_journal_page_last               860
_journal_paper_doi               10.1103/PhysRev.105.856
_journal_volume                  105
_journal_year                    1957
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ba O3 Ti'
_chemical_name_mineral           Barioperovskite
_space_group_IT_number           38
_symmetry_space_group_name_Hall  'A 2 -2'
_symmetry_space_group_name_H-M   'A m m 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   3.990
_cell_length_b                   5.669
_cell_length_c                   5.682
_cell_formula_units_Z            2
_cell_volume                     128.523
_database_code_amcsd             0018581
_exptl_crystal_density_diffrn    6.026
_cod_original_formula_sum        'Ba Ti O3'
_cod_database_code               9014774
Synthesis and crystal structure of two fluorophosphated compounds with different infinite sheets: Sr2Ga(HPO4)(PO4)F2 and Sr2Fe2(HPO4)(PO4)2F2 _cod_database_code 1000487
Le Meins, J.; Hemon-Ribaud A; Courbion, G.; European Journal of Solid State and Inorganic Chemistry 45 (1998) 117–132; doi:

data_9014775
_publ_section_title
;
 Synthesis and crystal structure of two fluorophosphated compounds with
 different infinite sheets: Sr2Ga(HPO4)(PO4)F2 and Sr2Fe2(HPO4)(PO4)2F2
 _cod_database_code 1000487
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              117
_journal_page_last               132
_journal_volume                  45
_journal_year                    1998
_chemical_formula_sum            'F2 Fe2 O12 P3 Sr2'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                102.46
_cell_angle_beta                 115.95
_cell_angle_gamma                89.95
_cell_length_a                   8.072
_cell_length_b                   8.794
_cell_length_c                   8.885
_cell_formula_units_Z            2
_cell_volume                     550.604
_database_code_amcsd             0012630
_exptl_crystal_density_diffrn    3.678
_cod_duplicate_entry             1000487
_cod_original_formula_sum        'Sr2 Fe2 P3 O12 F2'
_cod_database_code               9014775
_amcsd_formula_title             Sr2Fe2(HPO4)(PO4)2F2
On the solid solubility and structural properties of PdAs2-xSbx, PtP2-xAsx, PtP2-xSbx, PtP2-xBix, PtAs2-xSbx, PtAs2-xBix, PtSb2-xBix, Pdl-mPtmAs2, Pdl-mPtmSb2, Pdl-mAumSb2, and Ptl-mAumSb2
Furuseth, S.; Selte, K.; Kjekshus, A.; Acta Chemica Scandinavica 21 (1967) 527–536; doi:10.3891/acta.chem.scand.21-0527

data_9014776
_publ_section_title
;
 On the solid solubility and structural properties of PdAs2-xSbx,
 PtP2-xAsx, PtP2-xSbx, PtP2-xBix, PtAs2-xSbx, PtAs2-xBix, PtSb2-xBix,
 Pdl-mPtmAs2, Pdl-mPtmSb2, Pdl-mAumSb2, and Ptl-mAumSb2
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              527
_journal_page_last               536
_journal_paper_doi               10.3891/acta.chem.scand.21-0527
_journal_volume                  21
_journal_year                    1967
_chemical_compound_source        Synthetic
_chemical_formula_sum            'As2 Pd'
_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_length_a                   5.9855
_cell_length_b                   5.9855
_cell_length_c                   5.9855
_cell_formula_units_Z            4
_cell_volume                     214.438
_database_code_amcsd             0017681
_exptl_crystal_density_diffrn    7.938
_cod_original_sg_symbol_H-M      'P a 3'
_cod_original_formula_sum        'Pd As2'
_cod_database_code               9014776
_amcsd_formula_title             PdAs2