LMucko/crystallography-open-database huggingface dataset:
Structural characteristics of a new cation-deficient representative of the labuntsovite group
Rozenberg, K.A.; Pekov, I.V.; Rastsvetaeva, R.K.; Chukanov, N.V.; Kristallografiya 47 (2002) 265–266; doi:

data_1532117
_publ_section_title
;
 Structural characteristics of a new cation-deficient representative of
 the labuntsovite group
;
_journal_name_full               Kristallografiya
_journal_page_first              265
_journal_page_last               266
_journal_volume                  47
_journal_year                    2002
_chemical_formula_sum
'Ba1.5 Fe0.24 H17.98 K3.96 Mn0.7 Na3.52 Nb0.2 O63.27 Si16 Ti7.8'
_chemical_name_systematic
;
Na3.52 K3.96 (Ba1.5 (Mn0.70 Fe0.24) (H2 O)1.83) (Ti7.8 Nb0.2 (O4.56 (O 
H)3.44)) (Si4 O12)4 (H2 O)5.44
;
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 116.85
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   14.298
_cell_length_b                   13.816
_cell_length_c                   7.792
_cell_volume                     1373.298
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Rozenberg_KRISAJ_2002_722.cif
_cod_data_source_block
H17.98Ba1.5Fe0.24K3.96Mn0.7Na3.52Nb0.2O63.27Si16Ti7.8
_cod_original_formula_sum
;
H17.98 Ba1.5 Fe0.24 K3.96 Mn0.7 Na3.52 Nb0.2 O63.27 Si16 Ti7.8
;
_cod_database_code               1532117
Acentric niobium-rich analogue of labuntsovite-Fe: crystal structure and microtwinning
Rozenberg, K.A.; Rastsvetaeva, R.K.; Subbotin, V.V.; Chukanov, N.V.; Kristallografiya 47 (2002) 453–456; doi:

data_1532118
_publ_section_title
;
 Acentric niobium-rich analogue of labuntsovite-Fe: crystal structure and
 microtwinning
;
_journal_name_full               Kristallografiya
_journal_page_first              453
_journal_page_last               456
_journal_volume                  47
_journal_year                    2002
_chemical_formula_sum
'Ba0.48 Fe0.66 H14.56 K4.52 Mg0.44 Na2.4 Nb3.2 O61.92 Si16 Ti4.8'
_chemical_name_systematic
;
(Na2.4 K1.6) (K2.2 (H3 O)0.79) (K0.72 Ba0.48) (Fe0.66 Mg0.44 (H2 O)2.21) 
(Ti4.8 Nb3.2 ((O H)1.93 O6.07)) (Si4 O12)4 (H2 O)2.92
;
_space_group_IT_number           8
_symmetry_space_group_name_Hall  'C -2y'
_symmetry_space_group_name_H-M   'C 1 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 117.42
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   14.45
_cell_length_b                   13.91
_cell_length_c                   7.836
_cell_volume                     1398.085
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Rozenberg_KRISAJ_2002_734.cif
_cod_data_source_block
H14.56Ba0.48Fe0.66K4.52Mg0.44Na2.4Nb3.2O61.92Si16Ti4.8
_cod_original_formula_sum
;
H14.56 Ba0.48 Fe0.66 K4.52 Mg0.44 Na2.4 Nb3.2 O61.92 Si16 Ti4.8
;
_cod_database_code               1532118
High-pressure structural studies of hematite Fe2 O3
Rozenberg, G.Kh.; Dubrovinskii, L.S.; Le Bihan, T.; Pasternak, M.P.; Naaman, O.; Ahuja, R.; Physical Review, Serie 3. B - Condensed Matter (18,1978-) 65 (2002) 064112-1–064112-8; doi:

data_1532119
_publ_section_title
;
 High-pressure structural studies of hematite Fe2 O3
;
_journal_name_full
'Physical Review, Serie 3. B - Condensed Matter (18,1978-)'
_journal_page_first              064112-1
_journal_page_last               064112-8
_journal_volume                  65
_journal_year                    2002
_chemical_formula_sum            'Fe2 O3'
_space_group_IT_number           167
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   4.9865
_cell_length_b                   4.9865
_cell_length_c                   13.5016
_cell_volume                     290.742
_citation_journal_id_ASTM        PRBMDO
_cod_data_source_file            Rozenberg_PRBMDO_2002_1227.cif
_cod_data_source_block           Fe2O3
_cod_original_cell_volume        290.7418
_cod_database_code               1532119
High-pressure structural studies of hematite Fe2 O3
Rozenberg, G.Kh.; Pasternak, M.P.; Dubrovinskii, L.S.; Naaman, O.; Le Bihan, T.; Ahuja, R.; Physical Review, Serie 3. B - Condensed Matter (18,1978-) 65 (2002) 064112-1–064112-8; doi:

data_1532120
_publ_section_title
;
 High-pressure structural studies of hematite Fe2 O3
;
_journal_name_full
'Physical Review, Serie 3. B - Condensed Matter (18,1978-)'
_journal_page_first              064112-1
_journal_page_last               064112-8
_journal_volume                  65
_journal_year                    2002
_chemical_formula_sum            'Fe2 O3'
_space_group_IT_number           167
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   4.8454
_cell_length_b                   4.8454
_cell_length_c                   12.818
_cell_volume                     260.621
_citation_journal_id_ASTM        PRBMDO
_cod_data_source_file            Rozenberg_PRBMDO_2002_1231.cif
_cod_data_source_block           Fe2O3
_cod_original_cell_volume        260.6214
_cod_database_code               1532120
High-pressure structural studies of hematite Fe2 O3
Rozenberg, G.Kh.; Naaman, O.; Dubrovinskii, L.S.; Ahuja, R.; Le Bihan, T.; Pasternak, M.P.; Physical Review, Serie 3. B - Condensed Matter (18,1978-) 65 (2002) 064112-1–064112-8; doi:

data_1532121
_publ_section_title
;
 High-pressure structural studies of hematite Fe2 O3
;
_journal_name_full
'Physical Review, Serie 3. B - Condensed Matter (18,1978-)'
_journal_page_first              064112-1
_journal_page_last               064112-8
_journal_volume                  65
_journal_year                    2002
_chemical_formula_sum            'Fe2 O3'
_space_group_IT_number           60
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.6428
_cell_length_b                   4.6003
_cell_length_c                   4.9263
_cell_volume                     150.542
_citation_journal_id_ASTM        PRBMDO
_cod_data_source_file            Rozenberg_PRBMDO_2002_1233.cif
_cod_data_source_block           Fe2O3
_cod_original_cell_volume        150.5422
_cod_database_code               1532121
Triclinic structure of birefringent crystals of K (Al0.95 Cr0.05) (S O4)2 * 12(H2 O)
Rozhdestvenskaya, I.V.; Frank-Kamenetskaya, O.V.; Bannova, I.I.; Shtukenberg, A.G.; Zhurnal Strukturnoi Khimii (Issue-No. from 1981) 42 (2001) 753–765; doi:

data_1532122
_publ_section_title
;
 Triclinic structure of birefringent crystals of K (Al0.95 Cr0.05) (S O4)2
 * 12(H2 O)
;
_journal_name_full
'Zhurnal Strukturnoi Khimii (Issue-No. from 1981)'
_journal_page_first              753
_journal_page_last               765
_journal_volume                  42
_journal_year                    2001
_chemical_formula_sum            'Al0.95 Cr0.05 H24 K O20 S2'
_chemical_name_systematic        'K (Al0.95 Cr0.05) (S O4)2 (H2 O)12'
_space_group_IT_number           205
_symmetry_space_group_name_Hall  '-P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P a -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.165
_cell_length_b                   12.165
_cell_length_c                   12.165
_cell_volume                     1800.265
_citation_journal_id_ASTM        ZSTKAI
_cod_data_source_file            Rozhdestvenskaya_ZSTKAI_2001_119.cif
_cod_data_source_block           H24Al0.95Cr0.05K1O20S2
_cod_original_formula_sum        'H24 Al0.95 Cr0.05 K1 O20 S2'
_cod_database_code               1532122
Triclinic structure of birefringent crystals of K (Al0.95 Cr0.05) (S O4)2 * 12(H2 O)
Rozhdestvenskaya, I.V.; Frank-Kamenetskaya, O.V.; Bannova, I.I.; Shtukenberg, A.G.; Zhurnal Strukturnoi Khimii (Issue-No. from 1981) 42 (2001) 753–765; doi:

data_1532123
_publ_section_title
;
 Triclinic structure of birefringent crystals of K (Al0.95 Cr0.05) (S O4)2
 * 12(H2 O)
;
_journal_name_full
'Zhurnal Strukturnoi Khimii (Issue-No. from 1981)'
_journal_page_first              753
_journal_page_last               765
_journal_volume                  42
_journal_year                    2001
_chemical_formula_sum            'Al0.95 Cr0.05 H24 K O19.655 S2'
_chemical_name_systematic        'K (Al0.95 Cr0.05) (S O4)2 (H2 O)12'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.165
_cell_length_b                   12.165
_cell_length_c                   12.165
_cell_volume                     1800.265
_citation_journal_id_ASTM        ZSTKAI
_cod_data_source_file            Rozhdestvenskaya_ZSTKAI_2001_120.cif
_cod_data_source_block           Al0.95Cr0.05H24K1O19.655S2
_cod_original_formula_sum        'Al0.95 Cr0.05 H24 K1 O19.655 S2'
_cod_database_code               1532123
Comparative structural and electrical studies of V2 O3 and V2-x Nix O3 (0 < x < 0.75) solid solution
Rozier, P.; Ratuszna, A.; Galy, J.; Zeitschrift fuer Anorganische und Allgemeine Chemie 628 (2002) 1236–1242; doi:

data_1532124
_publ_section_title
;
 Comparative structural and electrical studies of V2 O3 and V2-x Nix O3 (0
 < x < 0.75) solid solution
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              1236
_journal_page_last               1242
_journal_volume                  628
_journal_year                    2002
_chemical_formula_sum            'O3 V2'
_chemical_name_systematic        'V2 O3'
_space_group_IT_number           167
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   4.9424
_cell_length_b                   4.9424
_cell_length_c                   14.0161
_cell_volume                     296.506
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Rozier_ZAACAB_2002_962.cif
_cod_data_source_block           O3V2
_cod_original_cell_volume        296.5061
_cod_database_code               1532124
Comparative structural and electrical studies of V2 O3 and V2-x Nix O3 (0 < x < 0.75) solid solution
Rozier, P.; Ratuszna, A.; Galy, J.; Zeitschrift fuer Anorganische und Allgemeine Chemie 628 (2002) 1236–1242; doi:

data_1532125
_publ_section_title
;
 Comparative structural and electrical studies of V2 O3 and V2-x Nix O3 (0
 < x < 0.75) solid solution
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              1236
_journal_page_last               1242
_journal_volume                  628
_journal_year                    2002
_chemical_formula_sum            'O3 V2'
_chemical_name_systematic        'V2 O3'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-I 2ya'
_symmetry_space_group_name_H-M   'I 1 2/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 96.762
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.2727
_cell_length_b                   5.0027
_cell_length_c                   5.5432
_cell_volume                     200.276
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Rozier_ZAACAB_2002_963.cif
_cod_data_source_block           O3V2
_cod_original_cell_volume        200.2761
_cod_original_sg_symbol_Hall     '-C 2yc (x+z,y,-x)'
_cod_database_code               1532125
Comparative structural and electrical studies of V2 O3 and V2-x Nix O3 (0 < x < 0.75) solid solution
Rozier, P.; Ratuszna, A.; Galy, J.; Zeitschrift fuer Anorganische und Allgemeine Chemie 628 (2002) 1236–1242; doi:

data_1532126
_publ_section_title
;
 Comparative structural and electrical studies of V2 O3 and V2-x Nix O3 (0
 < x < 0.75) solid solution
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              1236
_journal_page_last               1242
_journal_volume                  628
_journal_year                    2002
_chemical_formula_sum            'Ni0.05 O3 V1.95'
_chemical_name_systematic        '(V1.95 Ni0.05) O3'
_space_group_IT_number           167
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   4.9536
_cell_length_b                   4.9536
_cell_length_c                   13.9947
_cell_volume                     297.397
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Rozier_ZAACAB_2002_964.cif
_cod_data_source_block           Ni0.05O3V1.95
_cod_original_cell_volume        297.3967
_cod_database_code               1532126
Comparative structural and electrical studies of V2 O3 and V2-x Nix O3 (0 < x < 0.75) solid solution
Rozier, P.; Galy, J.; Ratuszna, A.; Zeitschrift fuer Anorganische und Allgemeine Chemie 628 (2002) 1236–1242; doi:

data_1532127
_publ_section_title
;
 Comparative structural and electrical studies of V2 O3 and V2-x Nix O3 (0
 < x < 0.75) solid solution
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              1236
_journal_page_last               1242
_journal_volume                  628
_journal_year                    2002
_chemical_formula_sum            'Ni0.4 O3 V1.6'
_chemical_name_systematic        '(V1.6 Ni0.4) O3'
_space_group_IT_number           167
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   4.9538
_cell_length_b                   4.9538
_cell_length_c                   13.8741
_cell_volume                     294.858
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Rozier_ZAACAB_2002_965.cif
_cod_data_source_block           Ni0.4O3V1.6
_cod_original_cell_volume        294.8577
_cod_database_code               1532127
Comparative structural and electrical studies of V2 O3 and V2-x Nix O3 (0 < x < 0.75) solid solution
Rozier, P.; Ratuszna, A.; Galy, J.; Zeitschrift fuer Anorganische und Allgemeine Chemie 628 (2002) 1236–1242; doi:

data_1532128
_publ_section_title
;
 Comparative structural and electrical studies of V2 O3 and V2-x Nix O3 (0
 < x < 0.75) solid solution
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              1236
_journal_page_last               1242
_journal_volume                  628
_journal_year                    2002
_chemical_formula_sum            'Ni0.66 O3 V1.34'
_chemical_name_systematic        '(V1.34 Ni0.66) O3'
_space_group_IT_number           167
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   4.9534
_cell_length_b                   4.9534
_cell_length_c                   13.8303
_cell_volume                     293.879
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Rozier_ZAACAB_2002_966.cif
_cod_data_source_block           Ni0.66O3V1.34
_cod_original_cell_volume        293.8793
_cod_database_code               1532128
Structural characterization and physical properties of the system La1.33 Lix Crx Ti2-x O6
Ruiz, A.I.; Pico, C.; Lopez, M.L.; Santrich-Badal, A.; Veiga, M.L.; Journal of Solid State Chemistry 173 (2003) 130–136; doi:

data_1532129
_publ_section_title
;
 Structural characterization and physical properties of the system La1.33
 Lix Crx Ti2-x O6
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              130
_journal_page_last               136
_journal_volume                  173
_journal_year                    2003
_chemical_formula_sum            'Cr0.66 La1.33 Li0.66 O6 Ti1.33'
_chemical_name_systematic        '(La1.33 Li0.66) (Cr0.66 Ti1.33) O6'
_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            2
_cell_length_a                   5.5045
_cell_length_b                   5.4739
_cell_length_c                   7.7477
_cell_volume                     233.447
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Ruiz_JSSCBI_2003_1574.cif
_cod_data_source_block           Cr0.66La1.33Li0.66O6Ti1.33
_cod_original_cell_volume        233.4466
_cod_original_sg_symbol_Hall     '-P 2ac 2n (z,x,y)'
_cod_database_code               1532129
Structural characterization and physical properties of the system La1.33 Lix Crx Ti2-x O6
Ruiz, A.I.; Veiga, M.L.; Lopez, M.L.; Pico, C.; Santrich-Badal, A.; Journal of Solid State Chemistry 173 (2003) 130–136; doi:

data_1532130
_publ_section_title
;
 Structural characterization and physical properties of the system La1.33
 Lix Crx Ti2-x O6
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              130
_journal_page_last               136
_journal_volume                  173
_journal_year                    2003
_chemical_formula_sum            'Cr0.66 La1.33 Li0.66 O6 Ti1.33'
_chemical_name_systematic        '(La1.33 Li0.66) (Cr0.66 Ti1.33) O6'
_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            1
_cell_length_a                   3.8766
_cell_length_b                   3.8766
_cell_length_c                   7.7541
_cell_volume                     116.529
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Ruiz_JSSCBI_2003_1575.cif
_cod_data_source_block           Cr0.66La1.33Li0.66O6Ti1.33
_cod_original_cell_volume        116.5288
_cod_database_code               1532130
Structural characterization and physical properties of the system La1.33 Lix Crx Ti2-x O6
Ruiz, A.I.; Santrich-Badal, A.; Lopez, M.L.; Pico, C.; Veiga, M.L.; Journal of Solid State Chemistry 173 (2003) 130–136; doi:

data_1532131
_publ_section_title
;
 Structural characterization and physical properties of the system La1.33
 Lix Crx Ti2-x O6
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              130
_journal_page_last               136
_journal_volume                  173
_journal_year                    2003
_chemical_formula_sum            'Cr0.44 La1.33 Li0.44 O6 Ti1.56'
_chemical_name_systematic        '(La1.33 Li0.44) (Cr0.44 Ti1.56) O6'
_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            2
_cell_length_a                   5.4937
_cell_length_b                   5.4781
_cell_length_c                   7.7562
_cell_volume                     233.423
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Ruiz_JSSCBI_2003_1576.cif
_cod_data_source_block           Cr0.44La1.33Li0.44O6Ti1.56
_cod_original_cell_volume        233.4231
_cod_original_sg_symbol_Hall     '-P 2ac 2n (z,x,y)'
_cod_database_code               1532131
Structural characterization and physical properties of the system La1.33 Lix Crx Ti2-x O6
Ruiz, A.I.; Lopez, M.L.; Pico, C.; Santrich-Badal, A.; Veiga, M.L.; Journal of Solid State Chemistry 173 (2003) 130–136; doi:

data_1532132
_publ_section_title
;
 Structural characterization and physical properties of the system La1.33
 Lix Crx Ti2-x O6
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              130
_journal_page_last               136
_journal_volume                  173
_journal_year                    2003
_chemical_formula_sum            'Cr0.44 La1.33 Li0.44 O6 Ti1.56'
_chemical_name_systematic        '(La1.33 Li0.44) (Cr0.44 Ti1.56) O6'
_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            1
_cell_length_a                   3.8787
_cell_length_b                   3.8787
_cell_length_c                   7.756
_cell_volume                     116.684
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Ruiz_JSSCBI_2003_1578.cif
_cod_data_source_block           Cr0.44La1.33Li0.44O6Ti1.56
_cod_original_cell_volume        116.6837
_cod_database_code               1532132
Ab initio investigation of the structures of Na O H hydrates and their Na(+) and (O H)(-) coordination polyhedra
Rustad, J.R.; Bylaska, E.J.; Rosso, K.M.; Felmy, A.R.; American Mineralogist 88 (2003) 436–449; doi:

data_1532133
_publ_section_title
;
 Ab initio investigation of the structures of Na O H hydrates and their
 Na(+) and (O H)(-) coordination polyhedra
;
_journal_name_full               'American Mineralogist'
_journal_page_first              436
_journal_page_last               449
_journal_volume                  88
_journal_year                    2003
_chemical_formula_sum            'H3 Na O2'
_chemical_name_systematic        'Na (O H) (H2 O)'
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   11.96
_cell_length_b                   6.221
_cell_length_c                   6.134
_cell_volume                     456.389
_citation_journal_id_ASTM        AMMIAY
_cod_data_source_file            Rustad_AMMIAY_2003_1799.cif
_cod_data_source_block           H3Na1O2
_cod_original_formula_sum        'H3 Na1 O2'
_cod_database_code               1532133