LMucko/crystallography-open-database huggingface dataset:
Localisation of residual water in alkali-metal cation-exchanged X and Y type zeolites
Kirschhock, C.E.A.; Hunger, B.; Martens, J.; Jacobs, P.A.; J. Phys. Chem. B 104 (2000) 439–448; doi:

data_1521412
_publ_section_title
;
 Localisation of residual water in alkali-metal cation-exchanged X and Y
 type zeolites
;
_journal_name_full               'J. Phys. Chem. B'
_journal_page_first              439
_journal_page_last               448
_journal_volume                  104
_journal_year                    2000
_chemical_formula_sum            'Al56 H29.96 K35.54 Na19.39 O398.98 Si136'
_chemical_name_systematic
'K35.54 Na19.39 (Al56 Si136 O384) (H2 O)14.98'
_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                   24.6736
_cell_length_b                   24.6736
_cell_length_c                   24.6736
_cell_volume                     15020.955
_citation_journal_id_ASTM        JPCBFK
_cod_data_source_file            Kirschhock_JPCBFK_2000_1613.cif
_cod_data_source_block           H29.96Al56K35.54Na19.39O398.98Si136
_cod_original_cell_volume        15020.95
_cod_original_formula_sum        'H29.96 Al56 K35.54 Na19.39 O398.98 Si136'
_cod_database_code               1521412
Localisation of residual water in alkali-metal cation-exchanged X and Y type zeolites
Kirschhock, C.E.A.; Jacobs, P.A.; Martens, J.; Hunger, B.; J. Phys. Chem. B 104 (2000) 439–448; doi:

data_1521413
_publ_section_title
;
 Localisation of residual water in alkali-metal cation-exchanged X and Y
 type zeolites
;
_journal_name_full               'J. Phys. Chem. B'
_journal_page_first              439
_journal_page_last               448
_journal_volume                  104
_journal_year                    2000
_chemical_formula_sum            'Al56 H8.64 Na27.6 O388.32 Rb27.74 Si136'
_chemical_name_systematic        'Rb27.74 Na27.6 (Al56 Si136 O384) (H2 O)4.32'
_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                   24.78609
_cell_length_b                   24.78609
_cell_length_c                   24.78609
_cell_volume                     15227.341
_citation_journal_id_ASTM        JPCBFK
_cod_data_source_file            Kirschhock_JPCBFK_2000_1614.cif
_cod_data_source_block           H8.64Al56Na27.6O388.32Rb27.74Si136
_cod_original_cell_volume        15227.34
_cod_original_formula_sum        'H8.64 Al56 Na27.6 O388.32 Rb27.74 Si136'
_cod_database_code               1521413
Localisation of residual water in alkali-metal cation-exchanged X and Y type zeolites
Kirschhock, C.E.A.; Jacobs, P.A.; Hunger, B.; Martens, J.; J. Phys. Chem. B 104 (2000) 439–448; doi:

data_1521414
_publ_section_title
;
 Localisation of residual water in alkali-metal cation-exchanged X and Y
 type zeolites
;
_journal_name_full               'J. Phys. Chem. B'
_journal_page_first              439
_journal_page_last               448
_journal_volume                  104
_journal_year                    2000
_chemical_formula_sum            'Al56 Cs24.16 H13.88 Na31.73 O390.94 Si136'
_chemical_name_systematic
'Cs24.16 Na31.73 (Al56 Si136 O384) (H2 O)6.94'
_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                   24.70599
_cell_length_b                   24.70599
_cell_length_c                   24.70599
_cell_volume                     15080.189
_citation_journal_id_ASTM        JPCBFK
_cod_data_source_file            Kirschhock_JPCBFK_2000_1615.cif
_cod_data_source_block           H13.88Al56Cs24.16Na31.73O390.94Si136
_cod_original_cell_volume        15080.19
_cod_original_formula_sum        'H13.88 Al56 Cs24.16 Na31.73 O390.94 Si136'
_cod_database_code               1521414
Crystal structure of metastable kappa-(Ce Zr O4) phase possessing an order arrangement of Ce and Zr ions
Kishimoto, H.; Omata, T.; Otsuka-Yao-Matsuo, S.; Ueda, K.; Hosono, H.; Kawazoe, H.; Journal of Alloys Compd. 312 (2000) 94–103; doi:

data_1521415
_publ_section_title
;
 Crystal structure of metastable kappa-(Ce Zr O4) phase possessing an
 order arrangement of Ce and Zr ions
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              94
_journal_page_last               103
_journal_volume                  312
_journal_year                    2000
_chemical_formula_sum            'Ce O4 Zr'
_chemical_name_systematic        'Ce (Zr O4)'
_space_group_IT_number           198
_symmetry_space_group_name_Hall  'P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P 21 3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   10.527
_cell_length_b                   10.527
_cell_length_c                   10.527
_cell_volume                     1166.578
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Kishimoto_JALCEU_2000_1447.cif
_cod_data_source_block           Ce1O4Zr1
_cod_original_formula_sum        'Ce1 O4 Zr1'
_cod_database_code               1521415
Crystal structures of some cubic hexafluorophosphates at ambient temperatures
Kitashita, K.; Tamada, O.; Hagiwara, R.; Ito, Y.; Journal of Fluorine Chemistry 101 (2000) 173–179; doi:

data_1521416
_publ_section_title
;
 Crystal structures of some cubic hexafluorophosphates at ambient
 temperatures
;
_journal_name_full               'Journal of Fluorine Chemistry'
_journal_page_first              173
_journal_page_last               179
_journal_volume                  101
_journal_year                    2000
_chemical_formula_sum            'F6 Na P'
_chemical_name_systematic        'Na (P F6)'
_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                   7.614
_cell_length_b                   7.614
_cell_length_c                   7.614
_cell_volume                     441.406
_citation_journal_id_ASTM        JFLCAR
_cod_data_source_file            Kitashita_JFLCAR_2000_1527.cif
_cod_data_source_block           F6Na1P1
_cod_original_cell_volume        441.4064
_cod_original_formula_sum        'F6 Na1 P1'
_cod_database_code               1521416
Crystal structures of some cubic hexafluorophosphates at ambient temperatures
Kitashita, K.; Hagiwara, R.; Ito, Y.; Tamada, O.; Journal of Fluorine Chemistry 101 (2000) 173–179; doi:

data_1521417
_publ_section_title
;
 Crystal structures of some cubic hexafluorophosphates at ambient
 temperatures
;
_journal_name_full               'Journal of Fluorine Chemistry'
_journal_page_first              173
_journal_page_last               179
_journal_volume                  101
_journal_year                    2000
_chemical_formula_sum            'F6 K P'
_chemical_name_systematic        'K (P F6)'
_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                   7.7891
_cell_length_b                   7.7891
_cell_length_c                   7.7891
_cell_volume                     472.565
_citation_journal_id_ASTM        JFLCAR
_cod_data_source_file            Kitashita_JFLCAR_2000_1528.cif
_cod_data_source_block           F6K1P1
_cod_original_cell_volume        472.5653
_cod_original_formula_sum        'F6 K1 P1'
_cod_database_code               1521417
Crystal structures of some cubic hexafluorophosphates at ambient temperatures
Kitashita, K.; Hagiwara, R.; Tamada, O.; Ito, Y.; Journal of Fluorine Chemistry 101 (2000) 173–179; doi:

data_1521418
_publ_section_title
;
 Crystal structures of some cubic hexafluorophosphates at ambient
 temperatures
;
_journal_name_full               'Journal of Fluorine Chemistry'
_journal_page_first              173
_journal_page_last               179
_journal_volume                  101
_journal_year                    2000
_chemical_formula_sum            'Cs F6 P'
_chemical_name_systematic        'Cs (P F6)'
_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                   8.197
_cell_length_b                   8.197
_cell_length_c                   8.197
_cell_volume                     550.763
_citation_journal_id_ASTM        JFLCAR
_cod_data_source_file            Kitashita_JFLCAR_2000_1529.cif
_cod_data_source_block           Cs1F6P1
_cod_original_formula_sum        'Cs1 F6 P1'
_cod_database_code               1521418
Rietveld refinement of cassiterite: a caveat for meticulous sample preparation
Klementova, M.; Weiss, Z.; Rieder, M.; International Journal of Inorganic Materials 45 (2000) 155–157; doi:

data_1521419
_publ_section_title
;
 Rietveld refinement of cassiterite: a caveat for meticulous sample
 preparation
;
_journal_name_full
'International Journal of Inorganic Materials'
_journal_page_first              155
_journal_page_last               157
_journal_volume                  45
_journal_year                    2000
_chemical_formula_sum            'O2 Sn0.912'
_chemical_name_systematic        'Sn0.912 O2'
_space_group_IT_number           136
_symmetry_space_group_name_Hall  '-P 4n 2n'
_symmetry_space_group_name_H-M   'P 42/m n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.7384
_cell_length_b                   4.7384
_cell_length_c                   3.1865
_cell_volume                     71.545
_citation_journal_id_ASTM        JCZSEQ
_cod_data_source_file            Klementova_JCZSEQ_2000_1523.cif
_cod_data_source_block           O2Sn0.912
_cod_original_cell_volume        71.54469
_cod_database_code               1521419
Synthesis and structure of a new family of nickelates: Tl (Ln2 Sr2) Ni2 O9, Ln= La, Pr, Nd, Sm, Eu and Gd
Knee, C.S.; Weller, M.T.; Journal of Solid State Chemistry 150 (2000) 1–13; doi:

data_1521420
_publ_section_title
;
 Synthesis and structure of a new family of nickelates: Tl (Ln2 Sr2) Ni2
 O9, Ln= La, Pr, Nd, Sm, Eu and Gd
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              1
_journal_page_last               13
_journal_volume                  150
_journal_year                    2000
_chemical_formula_sum            'La2 Ni2 O9 Sr2 Tl'
_chemical_name_systematic        'Tl (La2 Sr2) Ni2 O9'
_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                   3.8069
_cell_length_b                   3.8069
_cell_length_c                   30.055
_cell_volume                     435.572
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Knee_JSSCBI_2000_1753.cif
_cod_data_source_block           La2Ni2O9Sr2Tl1
_cod_original_cell_volume        435.5717
_cod_original_formula_sum        'La2 Ni2 O9 Sr2 Tl1'
_cod_database_code               1521420
Synthesis and structure of a new family of nickelates: Tl (Ln2 Sr2)Ni2 O9, Ln = La, Pr, Nd, Sm, Eu and Gd
Knee, C.S.; Weller, M.T.; Journal of Solid State Chemistry 150 (2000) 1–13; doi:

data_1521421
_publ_section_title
;
 Synthesis and structure of a new family of nickelates: Tl (Ln2 Sr2)Ni2
 O9, Ln = La, Pr, Nd, Sm, Eu and Gd
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              1
_journal_page_last               13
_journal_volume                  150
_journal_year                    2000
_chemical_formula_sum            'Ni2 O9 Pr2 Sr2 Tl'
_chemical_name_systematic        'Tl (Pr2 Sr2) Ni2 O9'
_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                   3.7864
_cell_length_b                   3.7864
_cell_length_c                   29.804
_cell_volume                     427.295
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Knee_JSSCBI_2000_1754.cif
_cod_data_source_block           Ni2O9Pr2Sr2Tl1
_cod_original_cell_volume        427.2948
_cod_original_formula_sum        'Ni2 O9 Pr2 Sr2 Tl1'
_cod_database_code               1521421
Synthesis and structure of a new family of nickelates: Tl (Ln2 Sr2)Ni2 O9, Ln = La, Pr, Nd, Sm, Eu and Gd
Knee, C.S.; Weller, M.T.; Journal of Solid State Chemistry 150 (2000) 1–13; doi:

data_1521422
_publ_section_title
;
 Synthesis and structure of a new family of nickelates: Tl (Ln2 Sr2)Ni2
 O9, Ln = La, Pr, Nd, Sm, Eu and Gd
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              1
_journal_page_last               13
_journal_volume                  150
_journal_year                    2000
_chemical_formula_sum            'Nd2 Ni2 O9 Sr2 Tl'
_chemical_name_systematic        'Tl (Nd2 Sr2) Ni2 O9'
_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                   3.7794
_cell_length_b                   3.7794
_cell_length_c                   29.697
_cell_volume                     424.188
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Knee_JSSCBI_2000_1755.cif
_cod_data_source_block           Nd2Ni2O9Sr2Tl1
_cod_original_formula_sum        'Nd2 Ni2 O9 Sr2 Tl1'
_cod_database_code               1521422
Synthesis and structure of a new family of nickelates: Tl (Ln2 Sr2) Ni2 O9, Ln = La, Pr, Nd, Sm, Eu and Gd
Knee, C.S.; Weller, M.T.; Journal of Solid State Chemistry 150 (2000) 1–13; doi:

data_1521423
_publ_section_title
;
 Synthesis and structure of a new family of nickelates: Tl (Ln2 Sr2) Ni2
 O9, Ln = La, Pr, Nd, Sm, Eu and Gd
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              1
_journal_page_last               13
_journal_volume                  150
_journal_year                    2000
_chemical_formula_sum            'Ni2 O9 Sm2 Sr2 Tl'
_chemical_name_systematic        'Tl (Sm2 Sr2) Ni2 O9'
_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                   3.7718
_cell_length_b                   3.7718
_cell_length_c                   29.524
_cell_volume                     420.022
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Knee_JSSCBI_2000_1756.cif
_cod_data_source_block           Ni2O9Sm2Sr2Tl1
_cod_original_cell_volume        420.0225
_cod_original_formula_sum        'Ni2 O9 Sm2 Sr2 Tl1'
_cod_database_code               1521423
Synthesis and structure of a new family of nickelates: Tl (Ln2 Sr2)Ni2 O9, Ln = La, Pr, Nd, Sm, Eu and Gd
Knee, C.S.; Weller, M.T.; Journal of Solid State Chemistry 150 (2000) 1–13; doi:

data_1521424
_publ_section_title
;
 Synthesis and structure of a new family of nickelates: Tl (Ln2 Sr2)Ni2
 O9, Ln = La, Pr, Nd, Sm, Eu and Gd
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              1
_journal_page_last               13
_journal_volume                  150
_journal_year                    2000
_chemical_formula_sum            'Eu2 Ni2 O9 Sr2 Tl'
_chemical_name_systematic        'Tl (Eu2 Sr2) Ni2 O9'
_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                   3.7711
_cell_length_b                   3.7711
_cell_length_c                   29.421
_cell_volume                     418.402
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Knee_JSSCBI_2000_1757.cif
_cod_data_source_block           Eu2Ni2O9Sr2Tl1
_cod_original_cell_volume        418.4018
_cod_original_formula_sum        'Eu2 Ni2 O9 Sr2 Tl1'
_cod_database_code               1521424
Synthesis and structure of a new family of nickelates: Tl (Ln2 Sr2)Ni2 O9, Ln = La, Pr, Nd, Sm, Eu and Gd
Knee, C.S.; Weller, M.T.; Journal of Solid State Chemistry 150 (2000) 1–13; doi:

data_1521425
_publ_section_title
;
 Synthesis and structure of a new family of nickelates: Tl (Ln2 Sr2)Ni2
 O9, Ln = La, Pr, Nd, Sm, Eu and Gd
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              1
_journal_page_last               13
_journal_volume                  150
_journal_year                    2000
_chemical_formula_sum            'Gd2 Ni2 O9 Sr2 Tl'
_chemical_name_systematic        'Tl (Gd2 Sr2) Ni2 O9'
_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                   3.7667
_cell_length_b                   3.7667
_cell_length_c                   29.39
_cell_volume                     416.986
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Knee_JSSCBI_2000_1758.cif
_cod_data_source_block           Gd2Ni2O9Sr2Tl1
_cod_original_cell_volume        416.9862
_cod_original_formula_sum        'Gd2 Ni2 O9 Sr2 Tl1'
_cod_database_code               1521425
High temperature phase transition in Ca3 (P O4)2 measured by neutron diffraction
Knowles, J.C.; Gibson, I.R.; Abrahams, I.; Bioceramics 1999 (1999) 341–344; doi:

data_1521426
_publ_section_title
;
 High temperature phase transition in Ca3 (P O4)2 measured by neutron
 diffraction
;
_journal_name_full               Bioceramics
_journal_page_first              341
_journal_page_last               344
_journal_volume                  1999
_journal_year                    1999
_chemical_formula_sum            'Ca3 O8 P2'
_chemical_name_systematic        'Ca3 (P O4)2'
_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            1
_cell_length_a                   5.3601
_cell_length_b                   5.3601
_cell_length_c                   7.6978
_cell_volume                     191.533
_citation_journal_id_ASTM        BPCMFX
_cod_data_source_file            Knowles_BPCMFX_1999_673.cif
_cod_data_source_block           Ca3O8P2
_cod_original_cell_volume        191.5327
_cod_database_code               1521426
A combined Rietveld refinement on the crystal structure of a magnetoelectric Aurivillius phase Bi5 Ti3 Fe O15 using neutron and X-ray powder diffraction
Ko, T.-Y.; Jun, C.-H.; Lee, J.-S.; The Korean Journal of Ceramics 5 (1999) 341–347; doi:

data_1521427
_publ_section_title
;
 A combined Rietveld refinement on the crystal structure of a
 magnetoelectric Aurivillius phase Bi5 Ti3 Fe O15 using neutron and X-ray
 powder diffraction
;
_journal_name_full               'The Korean Journal of Ceramics'
_journal_page_first              341
_journal_page_last               347
_journal_volume                  5
_journal_year                    1999
_chemical_formula_sum            'Bi5 Fe O15 Ti3'
_chemical_name_systematic        'Bi5 Ti3 Fe O15'
_space_group_IT_number           36
_symmetry_space_group_name_Hall  'A -2 2a'
_symmetry_space_group_name_H-M   'A 21 a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.4677
_cell_length_b                   5.4396
_cell_length_c                   41.2475
_cell_volume                     1226.787
_citation_journal_id_ASTM        KJCEFW
_cod_data_source_file            Ko_KJCEFW_1999_432.cif
_cod_data_source_block           Bi5Fe1O15Ti3
_cod_original_sg_symbol_Hall     'C 2c -2 (z,y,-x)'
_cod_original_formula_sum        'Bi5 Fe1 O15 Ti3'
_cod_database_code               1521427
Structural properties of nonstoichiometric barium and strontium peroxides: Ba O2-x (1.97>2-x>1.72) and Sr O2-x (1.98>2-x>1.90)
Koenigstein, M.; Journal of Solid State Chemistry 147 (1999) 478–484; doi:

data_1521428
_publ_section_title
;
 Structural properties of nonstoichiometric barium and strontium
 peroxides: Ba O2-x (1.97>2-x>1.72) and Sr O2-x (1.98>2-x>1.90)
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              478
_journal_page_last               484
_journal_volume                  147
_journal_year                    1999
_chemical_formula_sum            'Ba O1.94'
_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                   3.8071
_cell_length_b                   3.8071
_cell_length_c                   6.816
_cell_volume                     98.791
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Koenigstein_JSSCBI_1999_339.cif
_cod_data_source_block           Ba1O1.94
_cod_original_cell_volume        98.79118
_cod_original_formula_sum        'Ba1 O1.94'
_cod_database_code               1521428
Structural properties of nonstoichiometric barium and strontium peroxides: Ba O2-x (1.97>2-x>1.72) and Sr O2-x (1.98>2-x>1.90)
Koenigstein, M.; Journal of Solid State Chemistry 147 (1999) 478–484; doi:

data_1521429
_publ_section_title
;
 Structural properties of nonstoichiometric barium and strontium
 peroxides: Ba O2-x (1.97>2-x>1.72) and Sr O2-x (1.98>2-x>1.90)
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              478
_journal_page_last               484
_journal_volume                  147
_journal_year                    1999
_chemical_formula_sum            'Ba O1.7232'
_chemical_name_systematic        'Ba O1.86'
_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                   3.8096
_cell_length_b                   3.8096
_cell_length_c                   6.78
_cell_volume                     98.398
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Koenigstein_JSSCBI_1999_340.cif
_cod_data_source_block           Ba1O1.7232
_cod_original_cell_volume        98.39851
_cod_original_formula_sum        'Ba1 O1.7232'
_cod_database_code               1521429