LMucko/crystallography-open-database huggingface dataset:
New metastable phase in binary tin alloy systems
Kane, R.H.; Giessen, B.C.; Grant, N.J.; Acta Metallurgica 14 (1966) 605–609; doi:

data_1521747
_publ_section_title
;
 New metastable phase in binary tin alloy systems
;
_journal_name_full               'Acta Metallurgica'
_journal_page_first              605
_journal_page_last               609
_journal_volume                  14
_journal_year                    1966
_chemical_formula_sum            'Pb0.26 Sn0.74'
_chemical_name_systematic        '(Pb.26 Sn.74)'
_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_formula_units_Z            2
_cell_length_a                   3.22
_cell_length_b                   3.22
_cell_length_c                   3.027
_cell_volume                     27.180
_citation_journal_id_ASTM        AMETAR
_cod_data_source_file            Kane_AMETAR_1966_1698.cif
_cod_data_source_block           Pb0.26Sn0.74
_cod_original_cell_volume        27.18033
_cod_database_code               1521747
Synthesis, characterization and X-ray powder structure of K2 Zr Ge2 O7
Pertierra, P.; Salvado, M.A.; Garcia-Granda, S.; Clearfield, A.; Trabajo, C.; Bortun, A.I.; Garcia, J.R.; Journal of Solid State Chemistry 148 (1999) 41–49; doi:

data_1521748
_publ_section_title
;
 Synthesis, characterization and X-ray powder structure of K2 Zr Ge2 O7
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              41
_journal_page_last               49
_journal_volume                  148
_journal_year                    1999
_chemical_formula_sum            'Ge2 K2 O7 Zr'
_chemical_name_systematic        'K2 Zr (Ge2 O7)'
_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                 105.169
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.9619
_cell_length_b                   5.5578
_cell_length_c                   12.9555
_cell_volume                     692.305
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Pertierra_JSSCBI_1999_409.cif
_cod_data_source_block           Ge2K2O7Zr1
_cod_original_cell_volume        692.3054
_cod_original_formula_sum        'Ge2 K2 O7 Zr1'
_cod_database_code               1521748
New metastable phases in binary tin alloy systems
Kane, R.H.; Giessen, B.C.; Grant, N.J.; Acta Metallurgica 14 (1966) 605–609; doi:

data_1521749
_publ_section_title
;
 New metastable phases in binary tin alloy systems
;
_journal_name_full               'Acta Metallurgica'
_journal_page_first              605
_journal_page_last               609
_journal_volume                  14
_journal_year                    1966
_chemical_formula_sum            'Pd0.08 Sn0.92'
_chemical_name_systematic        '(Pd0.08 Sn0.92)'
_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_formula_units_Z            2
_cell_length_a                   3.215
_cell_length_b                   3.215
_cell_length_c                   2.979
_cell_volume                     26.666
_citation_journal_id_ASTM        AMETAR
_cod_data_source_file            Kane_AMETAR_1966_1753.cif
_cod_data_source_block           Pd0.08Sn0.92
_cod_original_cell_volume        26.66632
_cod_database_code               1521749
Pyroxymangit aus Duernstein in der Steiermark: eine Strukturverfeinerung mit kristallchemischen Ueberlegungen ueber dieBesetzungen der "nichttetraedrisch" koordinierten Kationpositionen
Pertlik, F.; Joannea - Mineral. 1 (2000) 31–43; doi:

data_1521750
_publ_section_title
;
 Pyroxymangit aus Duernstein in der Steiermark: eine Strukturverfeinerung
 mit kristallchemischen Ueberlegungen ueber dieBesetzungen der
 "nichttetraedrisch" koordinierten Kationpositionen
;
_journal_name_full               'Joannea - Mineral.'
_journal_page_first              31
_journal_page_last               43
_journal_volume                  1
_journal_year                    2000
_chemical_formula_sum            'Mn7 O21 Si7'
_chemical_name_systematic        'Mn7 Si7 O21'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                113.96
_cell_angle_beta                 82.33
_cell_angle_gamma                94.7
_cell_formula_units_Z            2
_cell_length_a                   6.716
_cell_length_b                   7.603
_cell_length_c                   17.41
_cell_volume                     804.735
_citation_journal_id_ASTM        JMOIA7
_cod_data_source_file            Pertlik_JMOIA7_2000_1709.cif
_cod_data_source_block           Mn7O21Si7
_cod_original_cell_volume        804.7346
_cod_database_code               1521750
Stability of the Crystal Structure of (Fe, V)~3~M and (Fe, Ni)~3~M (M= Si, Ge, Sn) and its Analysis Based on Rigid Band Model
Kanematsu, K.; Transactions of the Japan Institute of Metals 27 (1986) 225–232; doi:10.2320/matertrans1960.27.225

data_1521751
_publ_section_title
;
 Stability of the Crystal Structure of (Fe, V)~3~M and (Fe, Ni)~3~M
 (M= Si, Ge, Sn) and its Analysis Based on Rigid Band Model
;
_journal_coden_ASTM              TJIMAA
_journal_issue                   4
_journal_name_full
;
 Transactions of the Japan Institute of Metals
;
_journal_page_first              225
_journal_page_last               232
_journal_paper_doi               10.2320/matertrans1960.27.225
_journal_volume                  27
_journal_year                    1986
_chemical_formula_sum            'Fe0.6 Sn V2.4'
_chemical_name_systematic        '(Fe0.2 V0.8)3 Sn'
_space_group_IT_number           223
_symmetry_space_group_name_Hall  '-P 4n 2 3'
_symmetry_space_group_name_H-M   'P m -3 n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.945
_cell_length_b                   4.945
_cell_length_c                   4.945
_cell_volume                     120.920
_citation_journal_id_ASTM        TJIMAA
_cod_data_source_file            Kanematsu_TJIMAA_1986_76.cif
_cod_data_source_block           Fe0.6Sn1V2.4
_cod_original_cell_volume        120.9202
_cod_original_formula_sum        'Fe0.6 Sn1 V2.4'
_cod_database_code               1521751
Rhodonite with a low calcium content: crystal structure determination and crystal chemical calculations
Pertlik, F.; Zahiri, R.; Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-) 130 (1999) 257–265; doi:

data_1521752
_publ_section_title
;
 Rhodonite with a low calcium content: crystal structure determination and
 crystal chemical calculations
;
_journal_name_full
;
Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-)
;
_journal_page_first              257
_journal_page_last               265
_journal_volume                  130
_journal_year                    1999
_chemical_formula_sum            'Ca0.21 Fe0.1 Mg0.17 Mn4.51 O15 Si5'
_chemical_name_systematic        '(Mn4.51 Ca0.21 Fe0.10 Mg0.17) (Si5 O15)'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                92.4
_cell_angle_beta                 94.23
_cell_angle_gamma                105.65
_cell_formula_units_Z            2
_cell_length_a                   7.638
_cell_length_b                   11.862
_cell_length_c                   6.701
_cell_volume                     581.816
_citation_journal_id_ASTM        MOCMB7
_cod_data_source_file            Pertlik_MOCMB7_1999_488.cif
_cod_data_source_block           Ca0.21Fe0.1Mg0.17Mn4.51O15Si5
_cod_original_cell_volume        581.8162
_cod_database_code               1521752
X-ray diffraction powder pattern of metastable cubic Zr O2
Katz, G.; Journal of the American Ceramic Society 54 (1971) 531–531; doi:

data_1521753
_publ_section_title
;
 X-ray diffraction powder pattern of metastable cubic Zr O2
;
_journal_name_full               'Journal of the American Ceramic Society'
_journal_page_first              531
_journal_page_last               531
_journal_volume                  54
_journal_year                    1971
_chemical_formula_sum            'O2 Zr'
_chemical_name_systematic        'Zr O2'
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.09
_cell_length_b                   5.09
_cell_length_c                   5.09
_cell_volume                     131.872
_citation_journal_id_ASTM        JACTAW
_cod_data_source_file            Katz_JACTAW_1971_1647.cif
_cod_data_source_block           O2Zr1
_cod_original_cell_volume        131.8722
_cod_original_formula_sum        'O2 Zr1'
_cod_database_code               1521753
High-pressure neutron diffraction studies on laurionite-type Pb (O D) Br
Peter, S.; Parise, J.B.; Smith, R.I.; Lutz, H.D.; Journal of Physics and Chemistry of Solids 60 (1999) 1859–1863; doi:

data_1521754
_publ_section_title
;
 High-pressure neutron diffraction studies on laurionite-type Pb (O D) Br
;
_journal_name_full               'Journal of Physics and Chemistry of Solids'
_journal_page_first              1859
_journal_page_last               1863
_journal_volume                  60
_journal_year                    1999
_chemical_formula_sum            'Br D O Pb'
_chemical_name_systematic        'Pb (O D) Br'
_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                   7.3905
_cell_length_b                   4.088
_cell_length_c                   10.0209
_cell_volume                     302.755
_citation_journal_id_ASTM        JPCSAW
_cod_data_source_file            Peter_JPCSAW_1999_217.cif
_cod_data_source_block           D1Br1O1Pb1
_cod_original_cell_volume        302.7551
_cod_original_formula_sum        'D1 Br1 O1 Pb1'
_cod_database_code               1521754
Intensity anomalies in the X-ray diffraction pattern of Ni~3~Nb and their relationship to those for martensite
Kaufman, A.; Hoffman, N. J.; Lipson, H.; Scripta Metallurgica 3 (1969) 715–720; doi:10.1016/0036-9748(69)90220-8

data_1521755
_publ_section_title
;
 Intensity anomalies in the X-ray diffraction pattern of Ni~3~Nb and their
 relationship to those for martensite
;
_journal_issue                   10
_journal_name_full               'Scripta Metallurgica'
_journal_page_first              715
_journal_page_last               720
_journal_paper_doi               10.1016/0036-9748(69)90220-8
_journal_volume                  3
_journal_year                    1969
_chemical_formula_sum            'Nb Ni3'
_space_group_IT_number           139
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.62
_cell_length_b                   3.62
_cell_length_c                   7.41
_cell_volume                     97.104
_citation_journal_id_ASTM        SCRMBU
_cod_data_source_file            Kaufman_SCRMBU_1969_1349.cif
_cod_data_source_block           Nb1Ni3
_cod_original_cell_volume        97.1036
_cod_original_formula_sum        'Nb1 Ni3'
_cod_database_code               1521755
Structural and magnetic properties of one-dimensional barium vanadium triselenide
Kelber, J.; Reis, A.H.jr.; Aldred, A.T.; Mueller, M.H.; Massenet, O.; Depasquali, G.; Stucky, G.D.; Journal of Solid State Chemistry 30 (1979) 357–364; doi:

data_1521756
_publ_section_title
;
 Structural and magnetic properties of one-dimensional barium vanadium
 triselenide
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              357
_journal_page_last               364
_journal_volume                  30
_journal_year                    1979
_chemical_formula_sum            'Ba Se3 V'
_chemical_name_systematic        'Ba (V Se3)'
_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_formula_units_Z            2
_cell_length_a                   6.999
_cell_length_b                   6.999
_cell_length_c                   5.8621
_cell_volume                     248.689
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Kelber_JSSCBI_1979_1077.cif
_cod_data_source_block           Ba1Se3V1
_cod_original_cell_volume        248.6886
_cod_original_formula_sum        'Ba1 Se3 V1'
_cod_database_code               1521756
Composite copper chalcogenide halides: neutron powder diffraction of Cu Cl Cu2 Te S3 and electrical properties of Cu Cl Cu2 Te S3, (Cu I)2 Cu3 Sb S3, and (Cu I)3 Cu2 Te S3
Pfitzner, A.; Reiser, S.; Nilges, T.; Kockelmann, W.; Journal of Solid State Chemistry 147 (1999) 170–176; doi:

data_1521757
_publ_section_title
;
 Composite copper chalcogenide halides: neutron powder diffraction of Cu
 Cl Cu2 Te S3 and electrical properties of Cu Cl Cu2 Te S3, (Cu I)2 Cu3 Sb
 S3, and (Cu I)3 Cu2 Te S3
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              170
_journal_page_last               176
_journal_volume                  147
_journal_year                    1999
_chemical_formula_sum            'Cl Cu3 S3 Te'
_chemical_name_systematic        '(Cu Cl) (Cu2 (Te S3))'
_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                   7.3502
_cell_length_b                   7.3502
_cell_length_c                   10.3873
_cell_volume                     485.995
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Pfitzner_JSSCBI_1999_293.cif
_cod_data_source_block           Cl1Cu3S3Te1
_cod_original_cell_volume        485.9948
_cod_original_formula_sum        'Cl1 Cu3 S3 Te1'
_cod_database_code               1521757
The lattice parameters of some alloys of lithium
Kellington, S.; Loveridge, D.; Titman, J.M.; Journal of Physics D, Applied Physics 2 (1969) 1162–1163; doi:

data_1521758
_publ_section_title
;
 The lattice parameters of some alloys of lithium
;
_journal_name_full               'Journal of Physics D, Applied Physics'
_journal_page_first              1162
_journal_page_last               1163
_journal_volume                  2
_journal_year                    1969
_chemical_formula_sum            'Li0.9 Mg0.1'
_chemical_name_systematic        '(Li0.9 Mg0.1)'
_space_group_IT_number           229
_symmetry_space_group_name_Hall  '-I 4 2 3'
_symmetry_space_group_name_H-M   'I m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.5007
_cell_length_b                   3.5007
_cell_length_c                   3.5007
_cell_volume                     42.901
_citation_journal_id_ASTM        JPAPBE
_cod_data_source_file            Kellington_JPAPBE_1969_966.cif
_cod_data_source_block           Li0.9Mg0.1
_cod_original_cell_volume        42.90073
_cod_database_code               1521758
Location of water and xylene molecules adsorbed on prehydrated zeolite BaX. A low-temperature neutron powder diffraction study
Pichon, C.; Methivier, A.; Simonot-Grange, M.H.; Baerlocher, C.; J. Phys. Chem. B 103 (1999) 10197–10203; doi:

data_1521759
_publ_section_title
;
 Location of water and xylene molecules adsorbed on prehydrated zeolite
 BaX. A low-temperature neutron powder diffraction study
;
_journal_name_full               'J. Phys. Chem. B'
_journal_page_first              10197
_journal_page_last               10203
_journal_volume                  103
_journal_year                    1999
_chemical_formula_sum
'Al93.63 Ba46.32 D102.592 Na0.99 O435.296 Si98.37'
_chemical_name_systematic
'Na0.99 Ba46.32 Si98.37 Al93.63 O384 (D2 O)51.296'
_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_formula_units_Z            1
_cell_length_a                   25.08
_cell_length_b                   25.08
_cell_length_c                   25.08
_cell_volume                     15775.481
_citation_journal_id_ASTM        JPCBFK
_cod_data_source_file            Pichon_JPCBFK_1999_199.cif
_cod_data_source_block           D102.592Al93.63Ba46.32Na0.99O435.296Si98.37
_cod_original_cell_volume        15775.48
_cod_original_formula_sum
'D102.592 Al93.63 Ba46.32 Na0.99 O435.296 Si98.37'
_cod_database_code               1521759
Kristallstruktur von Pd5 Ga2
Khalaff, K.; Schubert, K.; Journal of the Less-Common Metals 37 (1974) 129–140; doi:

data_1521760
_publ_section_title
;
 Kristallstruktur von Pd5 Ga2
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              129
_journal_page_last               140
_journal_volume                  37
_journal_year                    1974
_chemical_formula_sum            'Ga2 Pd5'
_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                   5.485
_cell_length_b                   4.083
_cell_length_c                   18.369
_cell_volume                     411.378
_citation_journal_id_ASTM        JCOMAH
_cod_data_source_file            Khalaff_JCOMAH_1974_300.cif
_cod_data_source_block           Ga2Pd5
_cod_original_cell_volume        411.3784
_cod_database_code               1521760
Location of water and xylene molecules adsorbed on prehydrated zeolite BaX. A low-temperature neutron powder diffraction study
Pichon, C.; Methivier, A.; Baerlocher, C.; Simonot-Grange, M.H.; J. Phys. Chem. B 103 (1999) 10197–10203; doi:

data_1521761
_publ_section_title
;
 Location of water and xylene molecules adsorbed on prehydrated zeolite
 BaX. A low-temperature neutron powder diffraction study
;
_journal_name_full               'J. Phys. Chem. B'
_journal_page_first              10197
_journal_page_last               10203
_journal_volume                  103
_journal_year                    1999
_chemical_formula_sum
'C210.432 Al88.12 Ba43.31 D370.56 Na1.5 O437.76 Si103.88'
_chemical_name_systematic
;
Na1.50 Ba43.31 Si103.88 Al88.12 O384 (D2 O)53.76 (C8 D10)26.304
;
_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_formula_units_Z            1
_cell_length_a                   25.15
_cell_length_b                   25.15
_cell_length_c                   25.15
_cell_volume                     15907.941
_citation_journal_id_ASTM        JPCBFK
_cod_data_source_file            Pichon_JPCBFK_1999_200.cif
_cod_data_source_block
C210.432D370.56Al88.12Ba43.31Na1.5O437.76Si103.88
_cod_original_cell_volume        15907.94
_cod_original_formula_sum
;
C210.432 D370.56 Al88.12 Ba43.31 Na1.5 O437.76 Si103.88
;
_cod_database_code               1521761
Solid solutions of some ternary cubic Laves phases
Kharchenko, O.I.; Koshel', O.S.; Bodak, O.I.; Metallofizika (Akad. Nauk Ukraiskoi SSR, Inst. Metallofiziki) 52 (1974) 101–102; doi:

data_1521762
_publ_section_title
;
 Solid solutions of some ternary cubic Laves phases
;
_journal_name_full
;
Metallofizika (Akad. Nauk Ukraiskoi SSR, Inst. Metallofiziki)
;
_journal_page_first              101
_journal_page_last               102
_journal_volume                  52
_journal_year                    1974
_chemical_formula_sum            'Ni2 Pr'
_space_group_IT_number           227
_symmetry_space_group_name_Hall  'F 4d 2 3 -1d'
_symmetry_space_group_name_H-M   'F d -3 m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   7.27
_cell_length_b                   7.27
_cell_length_c                   7.27
_cell_volume                     384.241
_citation_journal_id_ASTM        MFIZAC
_cod_data_source_file            Kharchenko_MFIZAC_1974_1457.cif
_cod_data_source_block           Ni2Pr1
_cod_original_cell_volume        384.2406
_cod_original_sg_symbol_Hall     '-F 4vw 2vw 3 (x+1/8,y+1/8,z+1/8)'
_cod_original_formula_sum        'Ni2 Pr1'
_cod_database_code               1521762
Location of water and xylene molecules adsorbed on prehydrated zeolite BaX. A low-temperature neutron powder diffraction study
Pichon, C.; Methivier, A.; Simonot-Grange, M.H.; Baerlocher, C.; J. Phys. Chem. B 103 (1999) 10197–10203; doi:

data_1521763
_publ_section_title
;
 Location of water and xylene molecules adsorbed on prehydrated zeolite
 BaX. A low-temperature neutron powder diffraction study
;
_journal_name_full               'J. Phys. Chem. B'
_journal_page_first              10197
_journal_page_last               10203
_journal_volume                  103
_journal_year                    1999
_chemical_formula_sum
'C173.568 Al88.33 Ba43.62 D313.6 Na1.09 O432.32 Si103.67'
_chemical_name_systematic
;
Na1.09 Ba43.62 Si103.67 Al88.33 O384 (D2 O)48.32 (C8 D10)21.696
;
_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_formula_units_Z            1
_cell_length_a                   25.12
_cell_length_b                   25.12
_cell_length_c                   25.12
_cell_volume                     15851.082
_citation_journal_id_ASTM        JPCBFK
_cod_data_source_file            Pichon_JPCBFK_1999_201.cif
_cod_data_source_block
C173.568D313.6Al88.33Ba43.62Na1.09O432.32Si103.67
_cod_original_cell_volume        15851.08
_cod_original_formula_sum
;
C173.568 D313.6 Al88.33 Ba43.62 Na1.09 O432.32 Si103.67
;
_cod_database_code               1521763