LMucko/crystallography-open-database huggingface dataset:
Ternaere Alkalimetall-Uebergangsmetall-Acetylide der Zusammensetzung A2 M C2 mit A = Rb, Cs und M = Pd, Pt
Ruschewitz, U.; Zeitschrift fuer Anorganische und Allgemeine Chemie 627 (2001) 1231–1235; doi:

data_1526412
_publ_section_title
;
 Ternaere Alkalimetall-Uebergangsmetall-Acetylide der Zusammensetzung A2 M
 C2 mit A = Rb, Cs und M = Pd, Pt
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              1231
_journal_page_last               1235
_journal_volume                  627
_journal_year                    2001
_chemical_formula_sum            'C2 Pd Rb2'
_chemical_name_systematic        'Rb2 Pd C2'
_space_group_IT_number           164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   5.3581
_cell_length_b                   5.3581
_cell_length_c                   5.2888
_cell_volume                     131.495
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Ruschewitz_ZAACAB_2001_1989.cif
_cod_data_source_block           C2Pd1Rb2
_cod_original_formula_sum        'C2 Pd1 Rb2'
_cod_database_code               1526412
Influence of composition on the structure and conductivity of the fast ionic conductors La2/3-x Li3x Ti O3 (0.03 < x < 0.167)
Ibarra, J.; Varez, A.; Santamaria, J.; Leon, C.; Torres-Martinez, L.M.; Sanz, J.; Solid State Ionics 134 (2000) 219–228; doi:

data_1526413
_publ_section_title
;
 Influence of composition on the structure and conductivity of the fast
 ionic conductors La2/3-x Li3x Ti O3 (0.03 < x < 0.167)
;
_journal_name_full               'Solid State Ionics'
_journal_page_first              219
_journal_page_last               228
_journal_volume                  134
_journal_year                    2000
_chemical_formula_sum            'La0.6 Li0.2 O3 Ti'
_chemical_name_systematic        'La0.6 Li0.2 Ti O3'
_space_group_IT_number           47
_symmetry_space_group_name_Hall  '-P 2 2'
_symmetry_space_group_name_H-M   'P m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.8716
_cell_length_b                   3.8675
_cell_length_c                   7.7734
_cell_volume                     116.394
_citation_journal_id_ASTM        SSIOD3
_cod_data_source_file            Ibarra_SSIOD3_2000_590.cif
_cod_data_source_block           La0.6Li0.2O3Ti1
_cod_original_cell_volume        116.3943
_cod_original_formula_sum        'La0.6 Li0.2 O3 Ti1'
_cod_database_code               1526413
Ternaere Alkalimetall-Uebergangsmetall-Acetylide der Zusammensetzung A2 M C2 mit A = Rb, Cs und M = Pd, Pt
Ruschewitz, U.; Zeitschrift fuer Anorganische und Allgemeine Chemie 627 (2001) 1231–1235; doi:

data_1526414
_publ_section_title
;
 Ternaere Alkalimetall-Uebergangsmetall-Acetylide der Zusammensetzung A2 M
 C2 mit A = Rb, Cs und M = Pd, Pt
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              1231
_journal_page_last               1235
_journal_volume                  627
_journal_year                    2001
_chemical_formula_sum            'C2 Pt Rb2'
_chemical_name_systematic        'Rb2 Pt C2'
_space_group_IT_number           164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   5.3688
_cell_length_b                   5.3688
_cell_length_c                   5.2245
_cell_volume                     130.416
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Ruschewitz_ZAACAB_2001_1990.cif
_cod_data_source_block           C2Pt1Rb2
_cod_original_cell_volume        130.4157
_cod_original_formula_sum        'C2 Pt1 Rb2'
_cod_database_code               1526414
Influence of composition on the structure and conductivity of the fast ionic conductors La2/3-x Li3x Ti O3 (0.03 < x < 0.167)
Ibarra, J.; Varez, A.; Sanz, J.; Santamaria, J.; Leon, C.; Torres-Martinez, L.M.; Solid State Ionics 134 (2000) 219–228; doi:

data_1526415
_publ_section_title
;
 Influence of composition on the structure and conductivity of the fast
 ionic conductors La2/3-x Li3x Ti O3 (0.03 < x < 0.167)
;
_journal_name_full               'Solid State Ionics'
_journal_page_first              219
_journal_page_last               228
_journal_volume                  134
_journal_year                    2000
_chemical_formula_sum            'La0.595 Li0.215 O3 Ti'
_chemical_name_systematic        'La0.595 Li0.215 Ti O3'
_space_group_IT_number           47
_symmetry_space_group_name_Hall  '-P 2 2'
_symmetry_space_group_name_H-M   'P m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.8671
_cell_length_b                   3.8654
_cell_length_c                   7.7727
_cell_volume                     116.185
_citation_journal_id_ASTM        SSIOD3
_cod_data_source_file            Ibarra_SSIOD3_2000_591.cif
_cod_data_source_block           La0.595Li0.215O3Ti1
_cod_original_cell_volume        116.1854
_cod_original_formula_sum        'La0.595 Li0.215 O3 Ti1'
_cod_database_code               1526415
Ternaere Alkalimetall-Uebergangsmetall-Acetylide der Zusammensetzung A2 M C2 mit A = Rb, Cs und M = Pd, Pt
Ruschewitz, U.; Zeitschrift fuer Anorganische und Allgemeine Chemie 627 (2001) 1231–1235; doi:

data_1526416
_publ_section_title
;
 Ternaere Alkalimetall-Uebergangsmetall-Acetylide der Zusammensetzung A2 M
 C2 mit A = Rb, Cs und M = Pd, Pt
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              1231
_journal_page_last               1235
_journal_volume                  627
_journal_year                    2001
_chemical_formula_sum            'C2 Cs2 Pd'
_chemical_name_systematic        'Cs2 Pd C2'
_space_group_IT_number           164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   5.6236
_cell_length_b                   5.6236
_cell_length_c                   5.2976
_cell_volume                     145.090
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Ruschewitz_ZAACAB_2001_1991.cif
_cod_data_source_block           C2Cs2Pd1
_cod_original_cell_volume        145.0904
_cod_original_formula_sum        'C2 Cs2 Pd1'
_cod_database_code               1526416
Influence of composition on the structure and conductivity of the fast ionic conductors La2/3-x Li3x Ti O3 (0.03 < x < 0.167)
Ibarra, J.; Torres-Martinez, L.M.; Leon, C.; Varez, A.; Santamaria, J.; Sanz, J.; Solid State Ionics 134 (2000) 219–228; doi:

data_1526417
_publ_section_title
;
 Influence of composition on the structure and conductivity of the fast
 ionic conductors La2/3-x Li3x Ti O3 (0.03 < x < 0.167)
;
_journal_name_full               'Solid State Ionics'
_journal_page_first              219
_journal_page_last               228
_journal_volume                  134
_journal_year                    2000
_chemical_formula_sum            'La0.565 O3 Ti'
_chemical_name_systematic        'La0.565 Li0.305 Ti O3'
_space_group_IT_number           123
_symmetry_space_group_name_Hall  '-P 4 2'
_symmetry_space_group_name_H-M   'P 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.8727
_cell_length_b                   3.8727
_cell_length_c                   7.751
_cell_volume                     116.248
_citation_journal_id_ASTM        SSIOD3
_cod_data_source_file            Ibarra_SSIOD3_2000_592.cif
_cod_data_source_block           La0.565O3Ti1
_cod_original_formula_sum        'La0.565 O3 Ti1'
_cod_database_code               1526417
Ternaere Alkalimetall-Uebergangsmetall-Acetylide der Zusammensetzung A2 M C2 mit A = Rb, Cs und M = Pd, Pt
Ruschewitz, U.; Zeitschrift fuer Anorganische und Allgemeine Chemie 627 (2001) 1231–1235; doi:

data_1526418
_publ_section_title
;
 Ternaere Alkalimetall-Uebergangsmetall-Acetylide der Zusammensetzung A2 M
 C2 mit A = Rb, Cs und M = Pd, Pt
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              1231
_journal_page_last               1235
_journal_volume                  627
_journal_year                    2001
_chemical_formula_sum            'C2 Cs2 Pt'
_chemical_name_systematic        'Cs2 Pt C2'
_space_group_IT_number           164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   5.6301
_cell_length_b                   5.6301
_cell_length_c                   5.2294
_cell_volume                     143.554
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Ruschewitz_ZAACAB_2001_1992.cif
_cod_data_source_block           C2Cs2Pt1
_cod_original_cell_volume        143.5538
_cod_original_formula_sum        'C2 Cs2 Pt1'
_cod_database_code               1526418
Influence of composition on the structure and conductivity of the fast ionic conductors La2/3-x Li3x Ti O3 (0.03 < x < 0.167)
Ibarra, J.; Varez, A.; Leon, C.; Sanz, J.; Santamaria, J.; Torres-Martinez, L.M.; Solid State Ionics 134 (2000) 219–228; doi:

data_1526419
_publ_section_title
;
 Influence of composition on the structure and conductivity of the fast
 ionic conductors La2/3-x Li3x Ti O3 (0.03 < x < 0.167)
;
_journal_name_full               'Solid State Ionics'
_journal_page_first              219
_journal_page_last               228
_journal_volume                  134
_journal_year                    2000
_chemical_formula_sum            'La0.5 O3 Ti'
_chemical_name_systematic        'La0.5 Li0.5 Ti O3'
_space_group_IT_number           123
_symmetry_space_group_name_Hall  '-P 4 2'
_symmetry_space_group_name_H-M   'P 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.87
_cell_length_b                   3.87
_cell_length_c                   7.7452
_cell_volume                     115.999
_citation_journal_id_ASTM        SSIOD3
_cod_data_source_file            Ibarra_SSIOD3_2000_593.cif
_cod_data_source_block           La0.5O3Ti1
_cod_original_cell_volume        115.9991
_cod_original_formula_sum        'La0.5 O3 Ti1'
_cod_database_code               1526419
The Crystal Structure of Ammonium Heptafluorocerate(IV) Monohydrate, Hydrogen Bonding to the Dimer Ce2 F14(6-)
Ryan, R.R.; Penneman, R.A.; Acta Crystallographica B (24,1968-38,1982) 27 (1971) 1939–1943; doi:

data_2106211
_publ_section_title
;
 The Crystal Structure of Ammonium Heptafluorocerate(IV) Monohydrate,
 Hydrogen Bonding to the Dimer Ce2 F14(6-)
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1939
_journal_page_last               1943
_journal_volume                  27
_journal_year                    1971
_chemical_formula_sum            'Ce F7 H14 N3 O'
_chemical_name_systematic        '(N H4)3 Ce F7 (H2 O)'
_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                 95.704
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.064
_cell_length_b                   12.104
_cell_length_c                   7.134
_cell_volume                     950.645
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Ryan_ACBCAR_1971_135.cif
_cod_data_source_block           H14Ce1F7N3O1
_cod_original_cell_volume        950.6453
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_original_formula_sum        'H14 Ce1 F7 N3 O1'
_cod_database_code               2106211
Influence of composition on the structure and conductivity of the fast ionic conductors La2/3-x Li3x Ti O3 (0.03 < x < 0.167)
Ibarra, J.; Varez, A.; Leon, C.; Torres-Martinez, L.M.; Santamaria, J.; Sanz, J.; Solid State Ionics 134 (2000) 219–228; doi:

data_1526420
_publ_section_title
;
 Influence of composition on the structure and conductivity of the fast
 ionic conductors La2/3-x Li3x Ti O3 (0.03 < x < 0.167)
;
_journal_name_full               'Solid State Ionics'
_journal_page_first              219
_journal_page_last               228
_journal_volume                  134
_journal_year                    2000
_chemical_formula_sum            'La0.5 Li0.5 O3 Ti'
_chemical_name_systematic        'La0.50 Li0.50 Ti O3'
_space_group_IT_number           221
_symmetry_space_group_name_Hall  '-P 4 2 3'
_symmetry_space_group_name_H-M   'P m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   3.8703
_cell_length_b                   3.8703
_cell_length_c                   3.8703
_cell_volume                     57.974
_citation_journal_id_ASTM        SSIOD3
_cod_data_source_file            Ibarra_SSIOD3_2000_595.cif
_cod_data_source_block           La0.5Li0.5O3Ti1
_cod_original_cell_volume        57.97409
_cod_original_formula_sum        'La0.5 Li0.5 O3 Ti1'
_cod_database_code               1526420
Investigation of the crystal structure of the hexagonal Rb Zn F3 perovskite by powder and single crystal X-ray diffraction methods
Rybczynski, J.; Ratuszna, A.; Waskowska, A.; Daniel, P.; Gesland, J.Y.; Materials Science Forum 321 (2000) 942–946; doi:

data_1526421
_publ_section_title
;
 Investigation of the crystal structure of the hexagonal Rb Zn F3
 perovskite by powder and single crystal X-ray diffraction methods
;
_journal_name_full               'Materials Science Forum'
_journal_page_first              942
_journal_page_last               946
_journal_volume                  321
_journal_year                    2000
_chemical_formula_sum            'F3 Rb Zn'
_chemical_name_systematic        'Rb (Zn F3)'
_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            6
_cell_length_a                   5.9
_cell_length_b                   5.9
_cell_length_c                   14.433
_cell_volume                     435.102
_citation_journal_id_ASTM        MSFOEP
_cod_data_source_file            Rybczynski_MSFOEP_2000_350.cif
_cod_data_source_block           F3Rb1Zn1
_cod_original_cell_volume        435.1022
_cod_original_formula_sum        'F3 Rb1 Zn1'
_cod_database_code               1526421
X-ray structural study of ferroelectric K H2 As O4 and K D2 As O4
Ichikawa, M.; Amasaki, D.; Olovsson, I.; Gustafsson, T.; Journal of the Physical Society of Japan 70 (2001) 2327–2332; doi:

data_1526422
_publ_section_title
;
 X-ray structural study of ferroelectric K H2 As O4 and K D2 As O4
;
_journal_name_full               'Journal of the Physical Society of Japan'
_journal_page_first              2327
_journal_page_last               2332
_journal_volume                  70
_journal_year                    2001
_chemical_formula_sum            'As H2 K O4'
_chemical_name_systematic        'K (H2 As O4)'
_space_group_IT_number           122
_symmetry_space_group_name_Hall  'I -4 2bw'
_symmetry_space_group_name_H-M   'I -4 2 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.5973
_cell_length_b                   7.5973
_cell_length_c                   7.0966
_cell_volume                     409.608
_citation_journal_id_ASTM        JUPSAU
_cod_data_source_file            Ichikawa_JUPSAU_2001_1751.cif
_cod_data_source_block           H2As1K1O4
_cod_original_cell_volume        409.6084
_cod_original_formula_sum        'H2 As1 K1 O4'
_cod_database_code               1526422
X-ray structural study of ferroelectric K H2 As O4 and K D2 As O4
Ichikawa, M.; Amasaki, D.; Gustafsson, T.; Olovsson, I.; Journal of the Physical Society of Japan 70 (2001) 2327–2332; doi:

data_1526423
_publ_section_title
;
 X-ray structural study of ferroelectric K H2 As O4 and K D2 As O4
;
_journal_name_full               'Journal of the Physical Society of Japan'
_journal_page_first              2327
_journal_page_last               2332
_journal_volume                  70
_journal_year                    2001
_chemical_formula_sum            'As D2 K O4'
_chemical_name_systematic        'K (D2 As O4)'
_space_group_IT_number           122
_symmetry_space_group_name_Hall  'I -4 2bw'
_symmetry_space_group_name_H-M   'I -4 2 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.6237
_cell_length_b                   7.6237
_cell_length_c                   7.1163
_cell_volume                     413.605
_citation_journal_id_ASTM        JUPSAU
_cod_data_source_file            Ichikawa_JUPSAU_2001_1752.cif
_cod_data_source_block           D2As1K1O4
_cod_original_cell_volume        413.6051
_cod_original_formula_sum        'D2 As1 K1 O4'
_cod_database_code               1526423
Dehydration mechanism in brewsterite: single-crystal X-ray diffraction study
Sacerdoti, M.; Quartieri, S.; Vezzalini, G.; Microporous and Mesoporous Materials 41 (2000) 107–118; doi:

data_1526424
_publ_section_title
;
 Dehydration mechanism in brewsterite: single-crystal X-ray diffraction
 study
;
_journal_name_full               'Microporous and Mesoporous Materials'
_journal_page_first              107
_journal_page_last               118
_journal_volume                  41
_journal_year                    2000
_chemical_formula_sum            'Al4 Ba0.51 H19.108 O41.554 Si12 Sr1.49'
_chemical_name_systematic        '(Ba0.51 Sr1.49) (Al4 Si12 O32) (H2 O)9.554'
_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                 94.47
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   6.776
_cell_length_b                   17.466
_cell_length_c                   7.722
_cell_volume                     911.116
_citation_journal_id_ASTM        MIMMFJ
_cod_data_source_file            Sacerdoti_MIMMFJ_2000_259.cif
_cod_data_source_block           H19.108Al4Ba0.51O41.554Si12Sr1.49
_cod_original_cell_volume        911.1159
_cod_original_formula_sum        'H19.108 Al4 Ba0.51 O41.554 Si12 Sr1.49'
_cod_database_code               1526424
Oxygen-content dependence of crystal structure and Tc of (Nd0.675 Ce0.325)2 (Ba0.664 Nd0.336)2 Cu3.00 Oy
Idemoto, Y.; Richardson, J.W.jr.; Hayakawa, Y.; Koura, N.; Loong, C.-K.; Physica C (Amsterdam) 329 (2000) 29–36; doi:

data_1526425
_publ_section_title
;
 Oxygen-content dependence of crystal structure and Tc of (Nd0.675
 Ce0.325)2 (Ba0.664 Nd0.336)2 Cu3.00 Oy
;
_journal_name_full               'Physica C (Amsterdam)'
_journal_page_first              29
_journal_page_last               36
_journal_volume                  329
_journal_year                    2000
_chemical_formula_sum            'Ba1.328 Ce0.65 Cu3 Nd2.022 O8.75'
_chemical_name_systematic
'(Nd0.675 Ce0.325)2 (Ba0.664 Nd0.336)2 Cu3 O8.75'
_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                   3.87173
_cell_length_b                   3.87173
_cell_length_c                   28.60475
_cell_volume                     428.794
_citation_journal_id_ASTM        PHYCE6
_cod_data_source_file            Idemoto_PHYCE6_2000_407.cif
_cod_data_source_block           Ba1.328Ce0.65Cu3Nd2.022O8.75
_cod_original_cell_volume        428.7936
_cod_database_code               1526425
Dehydration mechanism in brewsterite: single-crystal X-ray diffraction study
Sacerdoti, M.; Vezzalini, G.; Quartieri, S.; Microporous and Mesoporous Materials 41 (2000) 107–118; doi:

data_1526426
_publ_section_title
;
 Dehydration mechanism in brewsterite: single-crystal X-ray diffraction
 study
;
_journal_name_full               'Microporous and Mesoporous Materials'
_journal_page_first              107
_journal_page_last               118
_journal_volume                  41
_journal_year                    2000
_chemical_formula_sum            'Al4 Ba0.51 H17.46 O40.73 Si12 Sr1.49'
_chemical_name_systematic        '(Ba0.51 Sr1.49) (Al4 Si12 O32) (H2 O)8.73'
_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                 94.59
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   6.78
_cell_length_b                   17.455
_cell_length_c                   7.705
_cell_volume                     908.923
_citation_journal_id_ASTM        MIMMFJ
_cod_data_source_file            Sacerdoti_MIMMFJ_2000_260.cif
_cod_data_source_block           H17.46Al4Ba0.51O40.73Si12Sr1.49
_cod_original_formula_sum        'H17.46 Al4 Ba0.51 O40.73 Si12 Sr1.49'
_cod_database_code               1526426
Crystal structure of metastable tetragonal zirconia up to 1473 K
Igawa, N.; Ishii, Y.; Journal of the American Ceramic Society 84 (2001) 1169–1171; doi:

data_1526427
_publ_section_title
;
 Crystal structure of metastable tetragonal zirconia up to 1473 K
;
_journal_name_full               'Journal of the American Ceramic Society'
_journal_page_first              1169
_journal_page_last               1171
_journal_volume                  84
_journal_year                    2001
_chemical_formula_sum            'O2 Zr'
_chemical_name_systematic        'Zr O2'
_space_group_IT_number           137
_symmetry_space_group_name_Hall  'P 4n 2n -1n'
_symmetry_space_group_name_H-M   'P 42/n m c :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.612
_cell_length_b                   3.612
_cell_length_c                   5.212
_cell_volume                     67.999
_citation_journal_id_ASTM        JACTAW
_cod_data_source_file            Igawa_JACTAW_2001_1129.cif
_cod_data_source_block           O2Zr1
_cod_original_cell_volume        67.99859
_cod_original_sg_symbol_Hall     '-P 4ac 2a (x-1/4,y+1/4,z+1/4)'
_cod_original_formula_sum        'O2 Zr1'
_cod_database_code               1526427