LMucko/crystallography-open-database huggingface dataset:
Neutron diffraction study on layered rocksalt Li1-x Ni1+x O2 at high temperature
Hirano, A.; Kanie, K.; Takeda, Y.; Ichikawa, T.; Imanishi, N.; Kanno, R.; Kamiyama, T.; Izumi, F.; Solid State Ionics 152 (2002) 207–216; doi:

data_1531441
_publ_section_title
;
 Neutron diffraction study on layered rocksalt Li1-x Ni1+x O2 at high
 temperature
;
_journal_name_full               'Solid State Ionics'
_journal_page_first              207
_journal_page_last               216
_journal_volume                  152
_journal_year                    2002
_chemical_formula_sum            'Li0.999 Ni1.001 O2'
_chemical_name_systematic        '(Li0.999 Ni0.001) Ni O2'
_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_formula_units_Z            3
_cell_length_a                   2.88071
_cell_length_b                   2.88071
_cell_length_c                   14.2373
_cell_volume                     102.319
_citation_journal_id_ASTM        SSIOD3
_cod_data_source_file            Hirano_SSIOD3_2002_861.cif
_cod_data_source_block           Li0.999Ni1.001O2
_cod_original_cell_volume        102.3192
_cod_database_code               1531441
Structural study of A2 Cu Ti O6 (A = Y, Tb-Lu) compounds
Floros, N.; Martinson, A.B.; Rijssenbeek, J.T.; Poeppelmeier, K.R.; Solid State Sciences 4 (2002) 1495–1498; doi:

data_1531442
_publ_section_title
;
 Structural study of A2 Cu Ti O6 (A = Y, Tb-Lu) compounds
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              1495
_journal_page_last               1498
_journal_volume                  4
_journal_year                    2002
_chemical_formula_sum            'Cu Dy2 O6 Ti'
_chemical_name_systematic        'Dy2 (Cu Ti O6)'
_space_group_IT_number           185
_symmetry_space_group_name_Hall  'P 6c -2'
_symmetry_space_group_name_H-M   'P 63 c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   6.214
_cell_length_b                   6.214
_cell_length_c                   11.483
_cell_volume                     383.998
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            Floros_SSSCFJ_2002_911.cif
_cod_data_source_block           Cu1Dy2O6Ti1
_cod_original_cell_volume        383.9976
_cod_original_formula_sum        'Cu1 Dy2 O6 Ti1'
_cod_database_code               1531442
Synthesis, crystal structure and hydrogenation properties of the ternary compounds La Ni4 Mg and Nd Ni4 Mg
Guenee, L.; Favre-Nicolin, V.; Yvon, K.; Journal of Alloys Compd. 348 (2003) 129–137; doi:

data_1531443
_publ_section_title
;
 Synthesis, crystal structure and hydrogenation properties of the ternary
 compounds La Ni4 Mg and Nd Ni4 Mg
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              129
_journal_page_last               137
_journal_volume                  348
_journal_year                    2003
_chemical_formula_sum            'Mg0.912 Nd Ni4.088'
_chemical_name_systematic        'Nd Ni4 (Mg0.912 Ni0.088)'
_space_group_IT_number           216
_symmetry_space_group_name_Hall  'F -4 2 3'
_symmetry_space_group_name_H-M   'F -4 3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.09875
_cell_length_b                   7.09875
_cell_length_c                   7.09875
_cell_volume                     357.722
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Guenee_JALCEU_2003_1257.cif
_cod_data_source_block           Mg0.912Nd1Ni4.088
_cod_original_formula_sum        'Mg0.912 Nd1 Ni4.088'
_cod_database_code               1531443
Neutron diffraction study on layered rocksalt Li1-x Ni1+x O2 at high temperature
Hirano, A.; Kanie, K.; Ichikawa, T.; Kanno, R.; Takeda, Y.; Imanishi, N.; Kamiyama, T.; Izumi, F.; Solid State Ionics 152 (2002) 207–216; doi:

data_1531444
_publ_section_title
;
 Neutron diffraction study on layered rocksalt Li1-x Ni1+x O2 at high
 temperature
;
_journal_name_full               'Solid State Ionics'
_journal_page_first              207
_journal_page_last               216
_journal_volume                  152
_journal_year                    2002
_chemical_formula_sum            'Li0.973 Ni1.027 O2'
_chemical_name_systematic        '(Li0.973 Ni0.027) Ni O2'
_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_formula_units_Z            3
_cell_length_a                   2.88443
_cell_length_b                   2.88443
_cell_length_c                   14.2478
_cell_volume                     102.659
_citation_journal_id_ASTM        SSIOD3
_cod_data_source_file            Hirano_SSIOD3_2002_862.cif
_cod_data_source_block           Li0.973Ni1.027O2
_cod_original_cell_volume        102.6593
_cod_database_code               1531444
Structural study of A2 Cu Ti O6 (A = Y, Tb-Lu) compounds
Floros, N.; Rijssenbeek, J.T.; Martinson, A.B.; Poeppelmeier, K.R.; Solid State Sciences 4 (2002) 1495–1498; doi:

data_1531445
_publ_section_title
;
 Structural study of A2 Cu Ti O6 (A = Y, Tb-Lu) compounds
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              1495
_journal_page_last               1498
_journal_volume                  4
_journal_year                    2002
_chemical_formula_sum            'Cu Ho2 O6 Ti'
_chemical_name_systematic        'Ho2 (Cu Ti O6)'
_space_group_IT_number           185
_symmetry_space_group_name_Hall  'P 6c -2'
_symmetry_space_group_name_H-M   'P 63 c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   6.18
_cell_length_b                   6.18
_cell_length_c                   11.499
_cell_volume                     380.336
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            Floros_SSSCFJ_2002_912.cif
_cod_data_source_block           Cu1Ho2O6Ti1
_cod_original_cell_volume        380.3362
_cod_original_formula_sum        'Cu1 Ho2 O6 Ti1'
_cod_database_code               1531445
Synthesis, crystal structure and hydrogenation properties of the ternary compounds La Ni4 Mg and Nd Ni4 Mg
Guenee, L.; Favre-Nicolin, V.; Yvon, K.; Journal of Alloys Compd. 348 (2003) 129–137; doi:

data_1531446
_publ_section_title
;
 Synthesis, crystal structure and hydrogenation properties of the ternary
 compounds La Ni4 Mg and Nd Ni4 Mg
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              129
_journal_page_last               137
_journal_volume                  348
_journal_year                    2003
_chemical_formula_sum            'D3.63 Mg Nd Ni4'
_chemical_name_systematic        'Nd Ni4 Mg D3.63'
_space_group_IT_number           31
_symmetry_space_group_name_Hall  'P 2ac -2'
_symmetry_space_group_name_H-M   'P m n 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.0767
_cell_length_b                   5.4743
_cell_length_c                   7.3792
_cell_volume                     205.078
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Guenee_JALCEU_2003_1258.cif
_cod_data_source_block           D3.63Mg1Nd1Ni4
_cod_original_cell_volume        205.0781
_cod_original_formula_sum        'D3.63 Mg1 Nd1 Ni4'
_cod_database_code               1531446
Structural study of A2 Cu Ti O6 (A = Y, Tb-Lu) compounds
Floros, N.; Poeppelmeier, K.R.; Rijssenbeek, J.T.; Martinson, A.B.; Solid State Sciences 4 (2002) 1495–1498; doi:

data_1531447
_publ_section_title
;
 Structural study of A2 Cu Ti O6 (A = Y, Tb-Lu) compounds
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              1495
_journal_page_last               1498
_journal_volume                  4
_journal_year                    2002
_chemical_formula_sum            'Cu Er2 O6 Ti'
_chemical_name_systematic        'Er2 (Cu Ti O6)'
_space_group_IT_number           185
_symmetry_space_group_name_Hall  'P 6c -2'
_symmetry_space_group_name_H-M   'P 63 c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   6.144
_cell_length_b                   6.144
_cell_length_c                   11.506
_cell_volume                     376.147
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            Floros_SSSCFJ_2002_913.cif
_cod_data_source_block           Cu1Er2O6Ti1
_cod_original_cell_volume        376.1468
_cod_original_formula_sum        'Cu1 Er2 O6 Ti1'
_cod_database_code               1531447
Synthesis, crystal structure and hydrogenation properties of the novel metal compound La Ni2 Mn3
Guenee, L.; Yvon, K.; Journal of Alloys Compd. 348 (2003) 176–183; doi:

data_1531448
_publ_section_title
;
 Synthesis, crystal structure and hydrogenation properties of the novel
 metal compound La Ni2 Mn3
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              176
_journal_page_last               183
_journal_volume                  348
_journal_year                    2003
_chemical_formula_sum            'La Mn3 Ni2'
_chemical_name_systematic        'La Ni2 Mn3'
_space_group_IT_number           191
_symmetry_space_group_name_Hall  '-P 6 2'
_symmetry_space_group_name_H-M   'P 6/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   9.2099
_cell_length_b                   9.2099
_cell_length_c                   4.1892
_cell_volume                     307.731
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Guenee_JALCEU_2003_1267.cif
_cod_data_source_block           La1Mn3Ni2
_cod_original_cell_volume        307.7312
_cod_original_formula_sum        'La1 Mn3 Ni2'
_cod_database_code               1531448
Ominelite, (Fe, Mg) Al3 B Si O9 (Fe(2+) analogue of grandidierite), a new mineral from porphyritic granite in Japan
Hiroi, Y.; Grew, E.S.; Motoyoshi, Y.; Rouse, R.C.; Yokoyama, K.; Peacor, D.R.; McGee, J.J.; Matsubara, S.; Su, S.-C.; Miyawaki, R.; Hokada, T.; Furukawa, N.; Shibasaki, H.; American Mineralogist 87 (2002) 160–170; doi:

data_1531449
_publ_section_title
;
 Ominelite, (Fe, Mg) Al3 B Si O9 (Fe(2+) analogue of grandidierite), a new
 mineral from porphyritic granite in Japan
;
_journal_name_full               'American Mineralogist'
_journal_page_first              160
_journal_page_last               170
_journal_volume                  87
_journal_year                    2002
_chemical_formula_sum            'Al3 B Fe0.927 Mg0.073 O9 Si'
_chemical_name_systematic        '(Fe0.927 Mg0.073) Al3 B Si O9'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.343
_cell_length_b                   11.095
_cell_length_c                   5.7601
_cell_volume                     661.004
_citation_journal_id_ASTM        AMMIAY
_cod_data_source_file            Hiroi_AMMIAY_2002_139.cif
_cod_data_source_block           Al3B1Fe0.927Mg0.073O9Si1
_cod_original_cell_volume        661.0037
_cod_original_sg_symbol_Hall     '-P 2ac 2n (z,x,y)'
_cod_original_formula_sum        'Al3 B1 Fe0.927 Mg0.073 O9 Si1'
_cod_database_code               1531449
Structural study of A2 Cu Ti O6 (A = Y, Tb-Lu) compounds
Floros, N.; Rijssenbeek, J.T.; Martinson, A.B.; Poeppelmeier, K.R.; Solid State Sciences 4 (2002) 1495–1498; doi:

data_1531450
_publ_section_title
;
 Structural study of A2 Cu Ti O6 (A = Y, Tb-Lu) compounds
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              1495
_journal_page_last               1498
_journal_volume                  4
_journal_year                    2002
_chemical_formula_sum            'Cu O6 Ti Tm2'
_chemical_name_systematic        'Tm2 (Cu Ti O6)'
_space_group_IT_number           185
_symmetry_space_group_name_Hall  'P 6c -2'
_symmetry_space_group_name_H-M   'P 63 c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   6.113
_cell_length_b                   6.113
_cell_length_c                   11.504
_cell_volume                     372.296
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            Floros_SSSCFJ_2002_914.cif
_cod_data_source_block           Cu1O6Ti1Tm2
_cod_original_cell_volume        372.2959
_cod_original_formula_sum        'Cu1 O6 Ti1 Tm2'
_cod_database_code               1531450
Synthesis, crystal structure and hydrogenation properties of the novel metal compound La Ni2 Mn3
Guenee, L.; Yvon, K.; Journal of Alloys Compd. 348 (2003) 176–183; doi:

data_1531451
_publ_section_title
;
 Synthesis, crystal structure and hydrogenation properties of the novel
 metal compound La Ni2 Mn3
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              176
_journal_page_last               183
_journal_volume                  348
_journal_year                    2003
_chemical_formula_sum            'D4.58 La Mn3 Ni2'
_chemical_name_systematic        'La Ni2 Mn3 D4.58'
_space_group_IT_number           191
_symmetry_space_group_name_Hall  '-P 6 2'
_symmetry_space_group_name_H-M   'P 6/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   9.7125
_cell_length_b                   9.7125
_cell_length_c                   4.3057
_cell_volume                     351.752
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Guenee_JALCEU_2003_1268.cif
_cod_data_source_block           D4.58La1Mn3Ni2
_cod_original_cell_volume        351.7519
_cod_original_formula_sum        'D4.58 La1 Mn3 Ni2'
_cod_database_code               1531451
Ab initio calculation of the crystal structure of the lanthanide Ln2 O3 sesquioxides
Hirosaki, N.; Ogata, S.; Kocer, C.; Journal of Alloys Compd. 351 (2003) 31–34; doi:10.1016/S0925-8388(02)01043-5

data_1531452
_publ_section_title
;
 Ab initio calculation of the crystal structure of the lanthanide Ln2 O3
 sesquioxides
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              31
_journal_page_last               34
_journal_paper_doi               10.1016/S0925-8388(02)01043-5
_journal_volume                  351
_journal_year                    2003
_chemical_formula_sum            'La2 O3'
_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                   3.936
_cell_length_b                   3.936
_cell_length_c                   6.166
_cell_volume                     82.726
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Hirosaki_JALCEU_2003_1337.cif
_cod_data_source_block           La2O3
_cod_original_cell_volume        82.72644
_cod_struct_determination_method theoretical
_cod_database_code               1531452
Structural study of A2 Cu Ti O6 (A = Y, Tb-Lu) compounds
Floros, N.; Rijssenbeek, J.T.; Martinson, A.B.; Poeppelmeier, K.R.; Solid State Sciences 4 (2002) 1495–1498; doi:

data_1531453
_publ_section_title
;
 Structural study of A2 Cu Ti O6 (A = Y, Tb-Lu) compounds
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              1495
_journal_page_last               1498
_journal_volume                  4
_journal_year                    2002
_chemical_formula_sum            'Cu O6 Ti Yb2'
_chemical_name_systematic        'Yb2 (Cu Ti O6)'
_space_group_IT_number           185
_symmetry_space_group_name_Hall  'P 6c -2'
_symmetry_space_group_name_H-M   'P 63 c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   6.095
_cell_length_b                   6.095
_cell_length_c                   11.515
_cell_volume                     370.461
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            Floros_SSSCFJ_2002_915.cif
_cod_data_source_block           Cu1O6Ti1Yb2
_cod_original_cell_volume        370.4606
_cod_original_formula_sum        'Cu1 O6 Ti1 Yb2'
_cod_database_code               1531453
Synthesis, crystal structure and hydrogenation properties of the novel metal compound La Ni2 Mn3
Guenee, L.; Yvon, K.; Journal of Alloys Compd. 348 (2003) 176–183; doi:

data_1531454
_publ_section_title
;
 Synthesis, crystal structure and hydrogenation properties of the novel
 metal compound La Ni2 Mn3
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              176
_journal_page_last               183
_journal_volume                  348
_journal_year                    2003
_chemical_formula_sum            'D5.57 La Mn3 Ni2'
_chemical_name_systematic        'La Ni2 Mn3 D5.57'
_space_group_IT_number           191
_symmetry_space_group_name_Hall  '-P 6 2'
_symmetry_space_group_name_H-M   'P 6/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   9.8379
_cell_length_b                   9.8379
_cell_length_c                   4.3038
_cell_volume                     360.734
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Guenee_JALCEU_2003_1269.cif
_cod_data_source_block           D5.57La1Mn3Ni2
_cod_original_cell_volume        360.7344
_cod_original_formula_sum        'D5.57 La1 Mn3 Ni2'
_cod_database_code               1531454
Ab initio calculation of the crystal structure of the lanthanide Ln2 O3 sesquioxides
Hirosaki, N.; Ogata, S.; Kocer, C.; Journal of Alloys Compd. 351 (2003) 31–34; doi:10.1016/S0925-8388(02)01043-5

data_1531455
_publ_section_title
;
 Ab initio calculation of the crystal structure of the lanthanide Ln2 O3
 sesquioxides
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              31
_journal_page_last               34
_journal_paper_doi               10.1016/S0925-8388(02)01043-5
_journal_volume                  351
_journal_year                    2003
_chemical_formula_sum            'Ce2 O3'
_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                   3.941
_cell_length_b                   3.941
_cell_length_c                   6.182
_cell_volume                     83.152
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Hirosaki_JALCEU_2003_1338.cif
_cod_data_source_block           Ce2O3
_cod_original_cell_volume        83.15196
_cod_struct_determination_method theoretical
_cod_database_code               1531455
Structural study of A2 Cu Ti O6 (A = Y, Tb-Lu) compounds
Floros, N.; Martinson, A.B.; Rijssenbeek, J.T.; Poeppelmeier, K.R.; Solid State Sciences 4 (2002) 1495–1498; doi:

data_1531456
_publ_section_title
;
 Structural study of A2 Cu Ti O6 (A = Y, Tb-Lu) compounds
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              1495
_journal_page_last               1498
_journal_volume                  4
_journal_year                    2002
_chemical_formula_sum            'Cu Lu2 O6 Ti'
_chemical_name_systematic        'Lu2 (Cu Ti O6)'
_space_group_IT_number           185
_symmetry_space_group_name_Hall  'P 6c -2'
_symmetry_space_group_name_H-M   'P 63 c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   6.057
_cell_length_b                   6.057
_cell_length_c                   11.516
_cell_volume                     365.887
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            Floros_SSSCFJ_2002_916.cif
_cod_data_source_block           Cu1Lu2O6Ti1
_cod_original_cell_volume        365.8874
_cod_original_formula_sum        'Cu1 Lu2 O6 Ti1'
_cod_database_code               1531456
Preparation and crystal structuure of the Cu9 Ge S6-x (x=0.579) compound
Gulay, L.D.; Parasyuk, O.V.; Romanyuk, Ya.E.; Journal of Alloys Compd. 333 (2002) 109–112; doi:

data_1531457
_publ_section_title
;
 Preparation and crystal structuure of the Cu9 Ge S6-x (x=0.579) compound
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              109
_journal_page_last               112
_journal_volume                  333
_journal_year                    2002
_chemical_formula_sum            'Cu8.952 Ge S5.421'
_space_group_IT_number           216
_symmetry_space_group_name_Hall  'F -4 2 3'
_symmetry_space_group_name_H-M   'F -4 3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.9567
_cell_length_b                   9.9567
_cell_length_c                   9.9567
_cell_volume                     987.066
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Gulay_JALCEU_2002_378.cif
_cod_data_source_block           Cu8.952Ge1S5.421
_cod_original_cell_volume        987.0663
_cod_original_formula_sum        'Cu8.952 Ge1 S5.421'
_cod_database_code               1531457
Ab initio calculation of the crystal structure of the lanthanide Ln2 O3 sesquioxides
Hirosaki, N.; Ogata, S.; Kocer, C.; Journal of Alloys Compd. 351 (2003) 31–34; doi:10.1016/S0925-8388(02)01043-5

data_1531458
_publ_section_title
;
 Ab initio calculation of the crystal structure of the lanthanide Ln2 O3
 sesquioxides
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              31
_journal_page_last               34
_journal_volume                  351
_journal_year                    2003
_chemical_formula_sum            'O3 Pr2'
_chemical_name_systematic        'Pr2 O3'
_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                   3.895
_cell_length_b                   3.895
_cell_length_c                   6.126
_cell_volume                     80.486
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Hirosaki_JALCEU_2003_1339.cif
_cod_data_source_block           O3Pr2
_cod_original_cell_volume        80.4864
_cod_database_code               1531458
_journal_paper_doi 10.1016/S0925-8388(02)01043-5
_cod_struct_determination_method theoretical