LMucko/crystallography-open-database huggingface dataset:
New ordered and distorted perovskites: the mixed platinates Ln2 M Pt O6 (Ln = La, Pr, Nd, Sm, Eu, Gd; M = Mg, Co, Ni, Zn) _cod_database_code 1001827
Ouchetto, K.; Archaimbault, F.; Choisnet, J.; Et-Tabirou M; Materials Chemistry and Physics 51 (1997) 117–124; doi:10.1016/S0254-0584(97)80279-9

data_9016717
_publ_section_title
;
 New ordered and distorted perovskites: the mixed platinates Ln2 M Pt O6
 (Ln = La, Pr, Nd, Sm, Eu, Gd; M = Mg, Co, Ni, Zn)
 _cod_database_code 1001827
;
_journal_name_full               'Materials Chemistry and Physics'
_journal_page_first              117
_journal_page_last               124
_journal_paper_doi               10.1016/S0254-0584(97)80279-9
_journal_volume                  51
_journal_year                    1997
_chemical_formula_sum            'Co0.5 O3 Pr Pt0.5'
_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.
_cell_angle_gamma                90
_cell_length_a                   5.4833
_cell_length_b                   5.7043
_cell_length_c                   7.7842
_cell_formula_units_Z            4
_cell_volume                     243.477
_database_code_amcsd             0014214
_exptl_crystal_density_diffrn    8.618
_cod_duplicate_entry             1001827
_cod_original_formula_sum        'Pr (Co.5 Pt.5) O3'
_cod_database_code               9016717
_amcsd_formula_title             'Co O6 Pr2 Pt'
Structure cristalline du trimetaphosphate de baryum-potassium monohydrate: Ba K P3 O9 (H2 O)
Seethanen, D.; Durif, A.; Acta Crystallographica, Section B 34 (1978) 1091–1093; doi:10.1107/S0567740878004987

data_9016718
_publ_section_title
;
 Structure cristalline du trimetaphosphate de baryum-potassium
 monohydrate:  Ba K P3 O9 (H2 O)
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              1091
_journal_page_last               1093
_journal_paper_doi               10.1107/S0567740878004987
_journal_volume                  34
_journal_year                    1978
_chemical_formula_sum            'Ba K O10 P3'
_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                 95.24
_cell_angle_gamma                90
_cell_length_a                   7.34
_cell_length_b                   17.77
_cell_length_c                   7.18
_cell_formula_units_Z            4
_cell_volume                     932.587
_database_code_amcsd             0009635
_exptl_crystal_density_diffrn    3.058
_cod_duplicate_entry             1007022
_cod_original_formula_sum        'Ba K P3 O10'
_cod_database_code               9016718
_amcsd_formula_title             'Ba H2 K O10 P3'
Blue spinel crystals in the MgAl2O4-CoAl2O4 series: Part II. Cation ordering over short-range and long-range scales Sample: CoAl1
Bosi, F.; Halenius, U.; D'Ippolito V; Andreozzi, G. B.; American Mineralogist 97 (2012) 1834–1840; doi:10.2138/am.2012.4139

data_9016719
_publ_section_title
;
 Blue spinel crystals in the MgAl2O4-CoAl2O4 series: Part II.
 Cation ordering over short-range and long-range scales
 Sample: CoAl1
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1834
_journal_page_last               1840
_journal_paper_doi               10.2138/am.2012.4139
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Al2 Co0.08 Mg0.91 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                   8.0848
_cell_length_b                   8.0848
_cell_length_c                   8.0848
_cell_formula_units_Z            8
_cell_volume                     528.455
_database_code_amcsd             0019575
_exptl_crystal_density_diffrn    3.640
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Co.08 Mg.91 Al2 O4'
_cod_database_code               9016719
Ordering of Fe and Mg in the tourmaline crystal structure: The correct formula Sample: Dravite 43873
Grice, J. D.; Ercit, T. S.; Neues Jahrbuch fur Mineralogie, Abhandlungen 165 (1993) 245–266; doi:

data_9016720
_publ_section_title
;
 Ordering of Fe and Mg in the tourmaline crystal structure: The correct formula
 Sample: Dravite 43873
;
_journal_name_full               'Neues Jahrbuch fur Mineralogie, Abhandlungen'
_journal_page_first              245
_journal_page_last               266
_journal_volume                  165
_journal_year                    1993
_chemical_compound_source        'Pierrepont, St, Lawrence Co., New York, USA'
_chemical_formula_sum
'Al5.29 B3 Ca0.301 F0.42 Fe H3.28 Mg2.7 Na0.713 O30.58 Si5.94 Ti0.06'
_chemical_name_mineral           Fluor-dravite
_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_formula_units_Z            3
_cell_length_a                   15.999
_cell_length_b                   15.999
_cell_length_c                   7.236
_cell_volume                     1604.039
_database_code_amcsd             0018791
_exptl_crystal_density_diffrn    3.091
_cod_original_sg_symbol_H-M      'R 3 m'
_cod_original_formula_sum
'Na.713 Ca.301 Mg2.7 Fe Al5.29 (Si5.94 Ti.06) B3 F.42 O30.58 H3.28'
_cod_database_code               9016720
Li-bearing tourmalines in Variscan granitic pegmatites from the Moldanubian nappes, Lower Austria Note: Sample MASR
Ertl, A.; Schuster, R.; Hughes, J. M.; Ludwig, T.; Meyer, H.-P.; Finger, F.; Dyar, M. D.; Ruschel, K.; Rossman, G. R.; Klotzli, U.; Brandstatter, F.; Lengauer, C. L.; Tillmanns, E.; European Journal of Mineralogy 24 (2012) 695–715; doi:10.1127/0935-1221/2012/0024-2203

data_9016721
_publ_section_title
;
 Li-bearing tourmalines in Variscan granitic pegmatites
 from the Moldanubian nappes, Lower Austria
 Note: Sample MASR
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              695
_journal_page_last               715
_journal_paper_doi               10.1127/0935-1221/2012/0024-2203
_journal_volume                  24
_journal_year                    2012
_chemical_compound_source        'Maigen, Moldanubian nappes, Lower Austria'
_chemical_formula_sum
'Al7.872 B3 Ca0.01 F0.26 Fe3.258 H3.74 K0.01 Li0.06 Mg0.318 Mn0.222 Na0.61 O39.74 Si5.652 Ti0.24 Zn0.078'
_chemical_name_mineral           Schorl
_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_formula_units_Z            3
_cell_length_a                   15.9783
_cell_length_b                   15.9783
_cell_length_c                   7.1507
_cell_volume                     1581.031
_database_code_amcsd             0019401
_exptl_crystal_density_diffrn    4.039
_cod_original_sg_symbol_H-M      'R 3 m'
_cod_original_formula_sum
'Na.61 Ca.01 K.01 Fe3.258 Al7.872 Mg.318 Ti.24 Mn.222 Zn.078 Li.06 Si5.652 B3 O39.74 F.26 H3.74'
_cod_database_code               9016721
A high-pressure study of lawsonite using angle-dispersive powder-diffraction methods with synchrotron radiation Note: Run #BN97, P = 16.5 GPa
Pawley, A. R.; Allan, D. R.; Mineralogical Magazine 65 (2001) 41–58; doi:10.1180/002646101550118

data_9016722
_publ_section_title
;
 A high-pressure study of lawsonite using angle-dispersive
 powder-diffraction methods with synchrotron radiation
 Note: Run #BN97, P = 16.5 GPa
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              41
_journal_page_last               58
_journal_paper_doi               10.1180/002646101550118
_journal_volume                  65
_journal_year                    2001
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Al2 Ca H4 O10 Si2'
_chemical_name_mineral           Lawsonite
_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                 124.67
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.178
_cell_length_b                   12.787
_cell_length_c                   5.634
_cell_volume                     306.798
_database_code_amcsd             0018956
_exptl_crystal_density_diffrn    3.402
_cod_original_formula_sum        'Ca Al2 Si2 O10 H4'
_cod_database_code               9016722
The 3.65 A phase, MgSi(OH)6: structural insights from DFT-calculations and T-dependent IR spectroscopy Note: theoretical structure, LDA from Pnam
Wunder, B.; Jahn, S.; Koch-Muller M; Speziale, S.; American Mineralogist 97 (2012) 1043–1048; doi:10.2138/am.2012.4022

data_9016723
_publ_section_title
;
 The 3.65 A phase, MgSi(OH)6: structural insights from
 DFT-calculations and T-dependent IR spectroscopy
 Note: theoretical structure, LDA from Pnam
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1043
_journal_page_last               1048
_journal_paper_doi               10.2138/am.2012.4022
_journal_volume                  97
_journal_year                    2012
_chemical_formula_sum            'H6 Mg O6 Si'
_space_group_IT_number           4
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 89.87
_cell_angle_gamma                90
_cell_length_a                   4.958
_cell_length_b                   5.056
_cell_length_c                   7.140
_cell_formula_units_Z            2
_cell_volume                     178.983
_database_code_amcsd             0019159
_exptl_crystal_density_diffrn    2.866
_cod_original_formula_sum        'Mg Si O6 H6'
_cod_database_code               9016723
_amcsd_formula_title             MgSi(OH)6
Rogermitchellite, Na12(Sr,Na)24Ba4Zr26Si78(B,Si)12O246(OH)24·18H2O, a new mineral species from Mont Saint-Hilaire, Quebec: Description, structure determination and relationship with HFSE-bearing cyclosilicates
McDonald, A. M.; Chao, G. Y.; The Canadian Mineralogist 48 (2010) 267–278; doi:10.3749/canmin.48.2.267

data_9016724
_publ_section_title
;
 Rogermitchellite, Na12(Sr,Na)24Ba4Zr26Si78(B,Si)12O246(OH)24&#x00B7;18H2O,
 a new mineral species from Mont Saint-Hilaire, Quebec:
 Description, structure determination and relationship with HFSE-bearing cyclosilicates
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              267
_journal_page_last               278
_journal_paper_doi               10.3749/canmin.48.2.267
_journal_volume                  48
_journal_year                    2010
_chemical_compound_source        'Mont Saint-Hilaire, Quebec, Canada'
_chemical_formula_sum
'B4.5 Ba2 H31.44 Na7.2 O144.72 Si40.5 Sr10.8 Zr13'
_chemical_name_mineral           Rogermitchellite
_space_group_IT_number           165
_symmetry_space_group_name_Hall  '-P 3 2"c'
_symmetry_space_group_name_H-M   'P -3 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   26.509
_cell_length_b                   26.509
_cell_length_c                   9.975
_cell_volume                     6070.581
_database_code_amcsd             0006329
_exptl_crystal_density_diffrn    3.340
_cod_original_formula_sum
'Na7.2 Sr10.8 Ba2 Zr13 Si40.5 B4.5 O144.72 H31.44'
_cod_database_code               9016724
Effect of hydrogen absorption on the structural properties of the hyperstoichiometric alloys Zr(Mn0.72Fe0.28)2+x _cod_database_code 1008569
Triantafillidis, G.; Pontonnier, L.; Fruchart, D.; Wolfers, P.; Soubeyroux, J.; Journal of the Less-Common Metals 172 (1991) 183–190; doi:

data_9016725
_publ_section_title
;
 Effect of hydrogen absorption on the structural properties of the
 hyperstoichiometric alloys Zr(Mn0.72Fe0.28)2+x
 _cod_database_code 1008569
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              183
_journal_page_last               190
_journal_volume                  172
_journal_year                    1991
_chemical_formula_sum            'Fe0.512 H4.073 Mn1.739 Zr0.749'
_space_group_IT_number           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   5.336
_cell_length_b                   5.336
_cell_length_c                   8.697
_cell_formula_units_Z            4
_cell_volume                     214.453
_database_code_amcsd             0016460
_exptl_crystal_density_diffrn    6.088
_cod_duplicate_entry             1008569
_cod_original_formula_sum        'Zr.749 Mn1.739 Fe.512 H4.073'
_cod_database_code               9016725
_amcsd_formula_title             'Fe0.512 H4.072 Mn1.738 Zr0.749'
The structure of FeCl2 at high pressures Note: P = 5.70 kbar
Vettier, C.; Yelon, W. B.; Journal of Physics and Chemistry of Solids 36 (1975) 401–405; doi:10.1016/0022-3697(75)90065-7

data_9016726
_publ_section_title
;
 The structure of FeCl2 at high pressures
 Note: P = 5.70 kbar
;
_journal_name_full               'Journal of Physics and Chemistry of Solids'
_journal_page_first              401
_journal_page_last               405
_journal_paper_doi               10.1016/0022-3697(75)90065-7
_journal_volume                  36
_journal_year                    1975
_chemical_formula_sum            'Cl2 Fe'
_chemical_name_mineral           Lawrencite
_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                   3.589
_cell_length_b                   3.589
_cell_length_c                   17.260
_cell_formula_units_Z            3
_cell_volume                     192.539
_database_code_amcsd             0018600
_exptl_crystal_density_diffrn    3.280
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_original_formula_sum        'Fe Cl2'
_cod_database_code               9016726
Crystal structure of uchucchacuaite, AgMnPb3Sb5S12, and its relationship with ramdohrite and fizelyite Note: Sample ID R100213
Yang, H.; Downs, R. T.; Evans, S. H.; Feinglos, M. N.; Tait, K. T.; American Mineralogist 96 (2011) 1186–1189; doi:10.2138/am.2011.3809

data_9016727
_publ_section_title
;
 Crystal structure of uchucchacuaite, AgMnPb3Sb5S12, and its relationship with
 ramdohrite and fizelyite
 Note: Sample ID R100213
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1186
_journal_page_last               1189
_journal_paper_doi               10.2138/am.2011.3809
_journal_volume                  96
_journal_year                    2011
_chemical_compound_source        'Uchuc-Chacua, Lima, Peru'
_chemical_formula_sum            'Ag1.049 Mn0.901 Pb3 S12 Sb5.049'
_chemical_name_mineral           Uchucchacuaite
_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                 90.059
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   19.3645
_cell_length_b                   12.7287
_cell_length_c                   8.7571
_cell_volume                     2158.492
_database_code_amcsd             0018371
_exptl_crystal_density_diffrn    5.489
_cod_original_formula_sum        'Pb3 Mn.901 Ag1.049 Sb5.049 S12'
_cod_database_code               9016727
Residual electron density study of chromium sesquioxide by crystal structure and scattering factor refinement Note: atomic scattering factor refinement
Sawada, H.; Materials Research Bulletin 29 (1994) 239–245; doi:10.1016/0025-5408(94)90019-1

data_9016728
_publ_section_title
;
 Residual electron density study of chromium sesquioxide
 by crystal structure and scattering factor refinement
 Note: atomic scattering factor refinement
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              239
_journal_page_last               245
_journal_paper_doi               10.1016/0025-5408(94)90019-1
_journal_volume                  29
_journal_issue                   3
_journal_year                    1994
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Cr2 O3'
_chemical_name_mineral           Eskolaite
_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                   4.9570
_cell_length_b                   4.9570
_cell_length_c                   13.5923
_cell_formula_units_Z            6
_cell_volume                     289.242
_database_code_amcsd             0017804
_exptl_crystal_density_diffrn    5.235
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_database_code               9016728
High-pressure study of a natural cancrinite Note: P = 4.30 GPa
Lotti, P.; Gatta, G. D.; Rotiroti, N.; Camara, F.; American Mineralogist 97 (2012) 872–882; doi:10.2138/am.2012.4039

data_9016729
_publ_section_title
;
 High-pressure study of a natural cancrinite
 Note: P = 4.30 GPa
;
_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                   12.347
_cell_length_b                   12.347
_cell_length_c                   4.935
_cell_volume                     651.539
_database_code_amcsd             0019031
_exptl_crystal_density_diffrn    2.684
_cod_original_formula_sum        'Si3 Al3 O15.64 Na3.522 Ca.438 C.88 H2'
_cod_database_code               9016729
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_9016730
_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            'Au Sb2'
_chemical_name_mineral           Aurostibite
_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                   6.6583
_cell_length_b                   6.6583
_cell_length_c                   6.6583
_cell_formula_units_Z            4
_cell_volume                     295.182
_database_code_amcsd             0017680
_exptl_crystal_density_diffrn    9.911
_cod_original_sg_symbol_H-M      'P a 3'
_cod_database_code               9016730
Two new series of rare-earth organic frameworks involving two structural architectures: syntheses, structures and magnetic properties
Jhu, Zih-Rong; Yang, Chen-I; Lee, Gene-Hsiang; CrystEngComm 15 (2013) 2456–; doi:10.1039/c3ce26766k

data_7209639
_publ_section_title
;
 Two new series of rare-earth organic frameworks involving two structural
 architectures: syntheses, structures and magnetic properties
;
_journal_issue                   13
_journal_name_full               CrystEngComm
_journal_page_first              2456
_journal_paper_doi               10.1039/c3ce26766k
_journal_volume                  15
_journal_year                    2013
_chemical_formula_sum            'C11 H15 Dy O6'
_chemical_formula_weight         405.730
_space_group_IT_number           19
_symmetry_Int_Tables_number      19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_audit_creation_date             2012-09-26
_audit_creation_method           SHELXL-97
_audit_update_record             2012-09-26
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_formula_units_Z            4
_cell_length_a                   8.1878(8)
_cell_length_b                   10.8856(11)
_cell_length_c                   14.7371(15)
_cell_volume                     1313.5(2)
_refine_ls_R_factor_all          0.040
_cod_data_source_file            c3ce26766k.txt
_cod_data_source_block           yci_2_1_full_0m
_cod_original_sg_symbol_Hall     P_2ac_2ab
_cod_database_code               7209639