LMucko/crystallography-open-database huggingface dataset:
Preparation and structure of K8 Ca2 U6 O24, K8 Sr2 U6 O24 and K8 Ba2 U6 O24
Singh Mudher, K.D.; Keskar, M.; Materials Research Bulletin 35 (2000) 33–38; doi:

data_1526634
_publ_section_title
;
 Preparation and structure of K8 Ca2 U6 O24, K8 Sr2 U6 O24 and K8 Ba2 U6
 O24
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              33
_journal_page_last               38
_journal_volume                  35
_journal_year                    2000
_chemical_formula_sum            'Ca2 K8 O24 U6'
_chemical_name_systematic        'K8 Ca2 (U6 O24)'
_space_group_IT_number           229
_symmetry_space_group_name_Hall  '-I 4 2 3'
_symmetry_space_group_name_H-M   'I m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   8.575
_cell_length_b                   8.575
_cell_length_c                   8.575
_cell_volume                     630.525
_citation_journal_id_ASTM        MRBUAC
_cod_data_source_file            SinghMudher_MRBUAC_2000_313.cif
_cod_data_source_block           Ca2K8O24U6
_cod_original_cell_volume        630.5251
_cod_database_code               1526634
Cd (V O2)4 (Se O3)3 * (H2 O): a new bimetallic vanadium selenite compound with heptacoordinated cadmium ion
Kim, Y.-T.; Kim, Y.H.; Park, K.; Kwon, Y.-U.; Young, V.G.jr.; Journal of Solid State Chemistry 161 (2001) 23–30; doi:

data_1526635
_publ_section_title
;
 Cd (V O2)4 (Se O3)3 * (H2 O): a new bimetallic vanadium selenite compound
 with heptacoordinated cadmium ion
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              23
_journal_page_last               30
_journal_volume                  161
_journal_year                    2001
_chemical_formula_sum            'Cd H2 O18 Se3 V4'
_chemical_name_systematic        'Cd (V O2)4 (Se O3)3 (H2 O)'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                100.881
_cell_angle_beta                 98.796
_cell_angle_gamma                93.69
_cell_formula_units_Z            2
_cell_length_a                   6.2999
_cell_length_b                   7.4078
_cell_length_c                   15.7525
_cell_volume                     710.137
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Kim_JSSCBI_2001_1686.cif
_cod_data_source_block           H2Cd1O18Se3V4
_cod_original_cell_volume        710.1373
_cod_original_formula_sum        'H2 Cd1 O18 Se3 V4'
_cod_database_code               1526635
Preparation and structure of K8 Ca2 U6 O24, K8 Sr2 U6 O24 and K8 Ba2 U6 O24
Singh Mudher, K.D.; Keskar, M.; Materials Research Bulletin 35 (2000) 33–38; doi:

data_1526636
_publ_section_title
;
 Preparation and structure of K8 Ca2 U6 O24, K8 Sr2 U6 O24 and K8 Ba2 U6
 O24
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              33
_journal_page_last               38
_journal_volume                  35
_journal_year                    2000
_chemical_formula_sum            'K8 O24 Sr2 U6'
_chemical_name_systematic        'K8 Sr2 (U6 O24)'
_space_group_IT_number           229
_symmetry_space_group_name_Hall  '-I 4 2 3'
_symmetry_space_group_name_H-M   'I m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   8.659
_cell_length_b                   8.659
_cell_length_c                   8.659
_cell_volume                     649.237
_citation_journal_id_ASTM        MRBUAC
_cod_data_source_file            SinghMudher_MRBUAC_2000_314.cif
_cod_data_source_block           K8O24Sr2U6
_cod_database_code               1526636
Application of inverse pole figure to Rietveld refinement: III. Rietveld refinement of Sn O2 thin film using X-ray diffraction data
Kim, Y.-I.; Jung, M.-J.; Kim, K.H.; The Korean Journal of Ceramics 6 (2000) 354–358; doi:

data_1526637
_publ_section_title
;
 Application of inverse pole figure to Rietveld refinement: III. Rietveld
 refinement of Sn O2 thin film using X-ray diffraction data
;
_journal_name_full               'The Korean Journal of Ceramics'
_journal_page_first              354
_journal_page_last               358
_journal_volume                  6
_journal_year                    2000
_chemical_formula_sum            'O2 Sn'
_chemical_name_systematic        'Sn 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                   4.7365
_cell_length_b                   4.7365
_cell_length_c                   3.201
_cell_volume                     71.813
_citation_journal_id_ASTM        KJCEFW
_cod_data_source_file            Kim_KJCEFW_2000_155.cif
_cod_data_source_block           O2Sn1
_cod_original_cell_volume        71.81261
_cod_original_formula_sum        'O2 Sn1'
_cod_database_code               1526637
Preparation and structure of K8 Ca2 U6 O24, K8 Sr2 U6 O24 and K8 Ba2 U6 O24
Singh Mudher, K.D.; Keskar, M.; Materials Research Bulletin 35 (2000) 33–38; doi:

data_1526638
_publ_section_title
;
 Preparation and structure of K8 Ca2 U6 O24, K8 Sr2 U6 O24 and K8 Ba2 U6
 O24
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              33
_journal_page_last               38
_journal_volume                  35
_journal_year                    2000
_chemical_formula_sum            'Ba2 K8 O24 U6'
_chemical_name_systematic        'K8 Ba2 (U6 O24)'
_space_group_IT_number           229
_symmetry_space_group_name_Hall  '-I 4 2 3'
_symmetry_space_group_name_H-M   'I m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   8.723
_cell_length_b                   8.723
_cell_length_c                   8.723
_cell_volume                     663.739
_citation_journal_id_ASTM        MRBUAC
_cod_data_source_file            SinghMudher_MRBUAC_2000_315.cif
_cod_data_source_block           Ba2K8O24U6
_cod_original_cell_volume        663.7393
_cod_database_code               1526638
Crystal structure and magnetic properties of double perovskite Sr2 Fe Mo O6
Kim, S.B.; Kim, C.S.; Sae Mulli 43 (2001) 341–349; doi:

data_1526639
_publ_section_title
;
 Crystal structure and magnetic properties of double perovskite Sr2 Fe Mo
 O6
;
_journal_name_full               'Sae Mulli'
_journal_page_first              341
_journal_page_last               349
_journal_volume                  43
_journal_year                    2001
_chemical_formula_sum            'Fe Mo O6 Sr2'
_chemical_name_systematic        'Sr2 Fe Mo O6'
_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                   5.5729
_cell_length_b                   5.5729
_cell_length_c                   7.9077
_cell_volume                     245.591
_citation_journal_id_ASTM        NWPYA4
_cod_data_source_file            Kim_NWPYA4_2001_1840.cif
_cod_data_source_block           Fe1Mo1O6Sr2
_cod_original_cell_volume        245.5911
_cod_original_formula_sum        'Fe1 Mo1 O6 Sr2'
_cod_database_code               1526639
Potassium merlinoite: crystallization, structural and thermal properties
Skofteland, B.M.; Lillerud, K.P.; Ellestad, O.H.; Microporous and Mesoporous Materials 43 (2001) 61–71; doi:

data_1526640
_publ_section_title
;
 Potassium merlinoite: crystallization, structural and thermal properties
;
_journal_name_full               'Microporous and Mesoporous Materials'
_journal_page_first              61
_journal_page_last               71
_journal_volume                  43
_journal_year                    2001
_chemical_formula_sum            'Al11.5 H31.04 K11.5 O79.52 Si20.5'
_chemical_name_systematic        'K11.5 (Al11.5 Si20.5 O64) (H2 O)15.52'
_space_group_IT_number           71
_symmetry_space_group_name_Hall  '-I 2 2'
_symmetry_space_group_name_H-M   'I m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   14.0716
_cell_length_b                   14.1978
_cell_length_c                   10.02912
_cell_volume                     2003.675
_citation_journal_id_ASTM        MIMMFJ
_cod_data_source_file            Skofteland_MIMMFJ_2001_1771.cif
_cod_data_source_block           H31.04Al11.5K11.5O79.52Si20.5
_cod_original_formula_sum        'H31.04 Al11.5 K11.5 O79.52 Si20.5'
_cod_database_code               1526640
The structures of as-synthesized Al P O4 - 53(A), calcined dehydrated Al P O4 - 53(B), and Al P O4 - 53(C), a new phase determined by the FOCUS method
Kirchner, R.M.; Grosse-Kunstleve, R.W.; Pluth, J.J.; Smith, J.V.; Broach, R.W.; Wilson, S.T.; Microporous and Mesoporous Materials 39 (2000) 319–332; doi:

data_1526641
_publ_section_title
;
 The structures of as-synthesized Al P O4 - 53(A), calcined dehydrated Al
 P O4 - 53(B), and Al P O4 - 53(C), a new phase determined by the FOCUS
 method
;
_journal_name_full               'Microporous and Mesoporous Materials'
_journal_page_first              319
_journal_page_last               332
_journal_volume                  39
_journal_year                    2000
_chemical_formula_sum            'Al O4 P'
_chemical_name_systematic        'Al (P O4)'
_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            24
_cell_length_a                   18.02411
_cell_length_b                   13.91737
_cell_length_c                   9.65536
_cell_volume                     2422.030
_citation_journal_id_ASTM        MIMMFJ
_cod_data_source_file            Kirchner_MIMMFJ_2000_244.cif
_cod_data_source_block           Al1O4P1
_cod_original_cell_volume        2422.03
_cod_original_formula_sum        'Al1 O4 P1'
_cod_database_code               1526641
Potassium merlinoite: crystallization, structural and thermal properties
Skofteland, B.M.; Ellestad, O.H.; Lillerud, K.P.; Microporous and Mesoporous Materials 43 (2001) 61–71; doi:

data_1526642
_publ_section_title
;
 Potassium merlinoite: crystallization, structural and thermal properties
;
_journal_name_full               'Microporous and Mesoporous Materials'
_journal_page_first              61
_journal_page_last               71
_journal_volume                  43
_journal_year                    2001
_chemical_formula_sum            'Al11.5 K11.5 O64 Si20.5'
_chemical_name_systematic        'K11.5 (Al11.5 Si20.5 O64)'
_space_group_IT_number           58
_symmetry_space_group_name_Hall  '-P 2 2n'
_symmetry_space_group_name_H-M   'P n n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   9.79696
_cell_length_b                   13.416
_cell_length_c                   13.4118
_cell_volume                     1762.794
_citation_journal_id_ASTM        MIMMFJ
_cod_data_source_file            Skofteland_MIMMFJ_2001_1772.cif
_cod_data_source_block           Al11.5K11.5O64Si20.5
_cod_database_code               1526642
The structures of as-synthesized Al P O4 - 53(A), calcined dehydrated Al P O4 - 53(B), and Al P O4 - 53(C), a new phase determined by the FOCUS method
Kirchner, R.M.; Wilson, S.T.; Pluth, J.J.; Grosse-Kunstleve, R.W.; Broach, R.W.; Smith, J.V.; Microporous and Mesoporous Materials 39 (2000) 319–332; doi:

data_1526643
_publ_section_title
;
 The structures of as-synthesized Al P O4 - 53(A), calcined dehydrated Al
 P O4 - 53(B), and Al P O4 - 53(C), a new phase determined by the FOCUS
 method
;
_journal_name_full               'Microporous and Mesoporous Materials'
_journal_page_first              319
_journal_page_last               332
_journal_volume                  39
_journal_year                    2000
_chemical_formula_sum            'C8 H72 Al24 N8 O112 P24'
_chemical_name_systematic        '(Al24 (P O4)24) ((C H3) N H2)8 (H2 O)16'
_space_group_IT_number           19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   10.32122
_cell_length_b                   13.63081
_cell_length_c                   17.45386
_cell_volume                     2455.524
_citation_journal_id_ASTM        MIMMFJ
_cod_data_source_file            Kirchner_MIMMFJ_2000_245.cif
_cod_data_source_block           C8H72Al24N8O112P24
_cod_database_code               1526643
Synthesis and structure of the new oxide fluoride Ba2 Zr O3 F2 * x(H2 O) (x = 0.5)
Slater, P.R.; Gover, R.K.B.; Journal of Materials Chemistry 11 (2001) 2035–2038; doi:

data_7221318
_publ_section_title
;
 Synthesis and structure of the new oxide fluoride Ba2 Zr O3 F2 * x(H2 O)
 (x = 0.5)
;
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              2035
_journal_page_last               2038
_journal_volume                  11
_journal_year                    2001
_chemical_formula_sum            'Ba2 F2 H0.92 O3.46 Zr'
_chemical_name_systematic        'Ba2 Zr O3 F2 (H2 O)0.46'
_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                   4.1721
_cell_length_b                   4.1721
_cell_length_c                   16.376
_cell_volume                     285.048
_citation_journal_id_ASTM        JMACEP
_cod_data_source_file            Slater_JMACEP_2001_1402.cif
_cod_data_source_block           H0.92Ba2F2O3.46Zr1
_cod_original_cell_volume        285.0475
_cod_original_formula_sum        'H0.92 Ba2 F2 O3.46 Zr1'
_cod_database_code               7221318
The structures of as-synthesized Al P O4 - 53(A), calcined dehydrated Al P O4 - 53(B), and Al P O4 - 53(C), a new phase determined by the FOCUS method
Kirchner, R.M.; Grosse-Kunstleve, R.W.; Pluth, J.J.; Broach, R.W.; Wilson, S.T.; Smith, J.V.; Microporous and Mesoporous Materials 39 (2000) 319–332; doi:

data_1526644
_publ_section_title
;
 The structures of as-synthesized Al P O4 - 53(A), calcined dehydrated Al
 P O4 - 53(B), and Al P O4 - 53(C), a new phase determined by the FOCUS
 method
;
_journal_name_full               'Microporous and Mesoporous Materials'
_journal_page_first              319
_journal_page_last               332
_journal_volume                  39
_journal_year                    2000
_chemical_formula_sum            'Al O4 P'
_chemical_name_systematic        'Al (P O4)'
_space_group_IT_number           5
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 88.259
_cell_angle_gamma                90
_cell_formula_units_Z            12
_cell_length_a                   16.44398
_cell_length_b                   5.1075
_cell_length_c                   13.4846
_cell_volume                     1132.017
_citation_journal_id_ASTM        MIMMFJ
_cod_data_source_file            Kirchner_MIMMFJ_2000_246.cif
_cod_data_source_block           Al1O4P1
_cod_original_formula_sum        'Al1 O4 P1'
_cod_database_code               1526644
Tantalum-niobium mixing in Ta3-x Nbx Te I7 (0 <= x <= 3)
Smith, M.D.; Miller, G.J.; Zeitschrift fuer Anorganische und Allgemeine Chemie 626 (2000) 94–102; doi:

data_1526645
_publ_section_title
;
 Tantalum-niobium mixing in Ta3-x Nbx Te I7 (0 <= x <= 3)
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              94
_journal_page_last               102
_journal_volume                  626
_journal_year                    2000
_chemical_formula_sum            'I7 Nb0.61 Ta2.39 Te'
_chemical_name_systematic        '(Ta2.39 Nb0.61) Te I7'
_space_group_IT_number           186
_symmetry_space_group_name_Hall  'P 6c -2c'
_symmetry_space_group_name_H-M   'P 63 m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   7.59
_cell_length_b                   7.59
_cell_length_c                   13.886
_cell_volume                     692.774
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Smith_ZAACAB_2000_802.cif
_cod_data_source_block           I7Nb0.61Ta2.39Te1
_cod_original_cell_volume        692.7736
_cod_original_formula_sum        'I7 Nb0.61 Ta2.39 Te1'
_cod_database_code               1526645
Crystal structure of La24 Li20 Ti5 O56: a pseudo-close-packed, columnar intergrowth structure
Kirk, C.A.; West, A.R.; Journal of Solid State Chemistry 162 (2001) 379–388; doi:

data_1526646
_publ_section_title
;
 Crystal structure of La24 Li20 Ti5 O56: a pseudo-close-packed, columnar
 intergrowth structure
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              379
_journal_page_last               388
_journal_volume                  162
_journal_year                    2001
_chemical_formula_sum            'La24 Li20 O56 Ti5'
_chemical_name_systematic        'La24 Li20 Ti5 O56'
_space_group_IT_number           127
_symmetry_space_group_name_Hall  '-P 4 2ab'
_symmetry_space_group_name_H-M   'P 4/m b m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   13.244
_cell_length_b                   13.244
_cell_length_c                   7.463
_cell_volume                     1309.037
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Kirk_JSSCBI_2001_1734.cif
_cod_data_source_block           La24Li20O56Ti5
_cod_database_code               1526646
Tantalum-niobium mixing in Ta3-x Nbx Te I7 (0 <= x <= 3)
Smith, M.D.; Miller, G.J.; Zeitschrift fuer Anorganische und Allgemeine Chemie 626 (2000) 94–102; doi:

data_1526647
_publ_section_title
;
 Tantalum-niobium mixing in Ta3-x Nbx Te I7 (0 <= x <= 3)
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              94
_journal_page_last               102
_journal_volume                  626
_journal_year                    2000
_chemical_formula_sum            'I7 Nb1.66 Ta1.34 Te'
_chemical_name_systematic        '(Ta1.34 Nb1.66) Te I7'
_space_group_IT_number           156
_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                   7.62
_cell_length_b                   7.62
_cell_length_c                   6.913
_cell_volume                     347.622
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Smith_ZAACAB_2000_803.cif
_cod_data_source_block           I7Nb1.66Ta1.34Te1
_cod_original_cell_volume        347.6219
_cod_original_formula_sum        'I7 Nb1.66 Ta1.34 Te1'
_cod_database_code               1526647
Hydrogen position, hydrogen bonding and hydroxide dynamics in the Cd (O H) Cl structure type
Kister, S.; Kockelmann, W.; Keller, H.L.; Physik (Berlin) 276 (2000) 262–263; doi:

data_1526648
_publ_section_title
;
 Hydrogen position, hydrogen bonding and hydroxide dynamics in the Cd (O
 H) Cl structure type
;
_journal_name_full               'Physik (Berlin)'
_journal_page_first              262
_journal_page_last               263
_journal_volume                  276
_journal_year                    2000
_chemical_formula_sum            'Cd Cl D O'
_chemical_name_systematic        'Cd (O D) Cl'
_space_group_IT_number           186
_symmetry_space_group_name_Hall  'P 6c -2c'
_symmetry_space_group_name_H-M   'P 63 m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   3.657
_cell_length_b                   3.657
_cell_length_c                   10.213
_cell_volume                     118.286
_citation_journal_id_ASTM        PHYBE3
_cod_data_source_file            Kister_PHYBE3_2000_388.cif
_cod_data_source_block           D1Cd1Cl1O1
_cod_original_cell_volume        118.2862
_cod_original_formula_sum        'D1 Cd1 Cl1 O1'
_cod_database_code               1526648
Tantalum-niobium mixing in Ta3-x Nbx Te I7 (0 <= x <= 3)
Smith, M.D.; Miller, G.J.; Zeitschrift fuer Anorganische und Allgemeine Chemie 626 (2000) 94–102; doi:

data_1526649
_publ_section_title
;
 Tantalum-niobium mixing in Ta3-x Nbx Te I7 (0 <= x <= 3)
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              94
_journal_page_last               102
_journal_volume                  626
_journal_year                    2000
_chemical_formula_sum            'I7 Nb2.14 Ta0.86 Te'
_chemical_name_systematic        '(Ta0.86 Nb2.14) Te I7'
_space_group_IT_number           156
_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                   7.622
_cell_length_b                   7.622
_cell_length_c                   6.902
_cell_volume                     347.251
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Smith_ZAACAB_2000_804.cif
_cod_data_source_block           I7Nb2.14Ta0.86Te1
_cod_original_formula_sum        'I7 Nb2.14 Ta0.86 Te1'
_cod_database_code               1526649
Structural properties and thermodynamic stability of Ba-doped silicon type-I clathrates synthesized under high pressure
Kitano, A.; Shintani, A.; Moriguchi, K.; Sakata, M.; Yonemura, M.; Munetoh, S.; Takata, M.; Nishibori, E.; Yamanaka, S.; Fukuoka, H.; Physical Review, Serie 3. B - Condensed Matter (18,1978-) 64 (2001) 0452061–0452069; doi:

data_1526650
_publ_section_title
;
 Structural properties and thermodynamic stability of Ba-doped silicon
 type-I clathrates synthesized under high pressure
;
_journal_name_full
'Physical Review, Serie 3. B - Condensed Matter (18,1978-)'
_journal_page_first              0452061
_journal_page_last               0452069
_journal_volume                  64
_journal_year                    2001
_chemical_formula_sum            Ba
_space_group_IT_number           229
_symmetry_space_group_name_Hall  '-I 4 2 3'
_symmetry_space_group_name_H-M   'I m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.758
_cell_length_b                   4.758
_cell_length_c                   4.758
_cell_volume                     107.714
_citation_journal_id_ASTM        PRBMDO
_cod_data_source_file            Kitano_PRBMDO_2001_1897.cif
_cod_data_source_block           Ba1
_cod_original_cell_volume        107.7143
_cod_original_formula_sum        Ba1
_cod_database_code               1526650