LMucko/crystallography-open-database huggingface dataset:
Synthesis and crystal structure of Li2 (Pd (N O2)4) . 2(H2 O)
Khranenko, S.P.; Belyaev, A.V.; Gromilov, S.A.; Virovets, A.V.; Baidina, I.A.; Zhurnal Strukturnoi Khimii (Issue-No. from 1981) 40 (1999) 383–387; doi:

data_1521395
_publ_section_title
;
 Synthesis and crystal structure of Li2 (Pd (N O2)4) . 2(H2 O)
;
_journal_name_full
'Zhurnal Strukturnoi Khimii (Issue-No. from 1981)'
_journal_page_first              383
_journal_page_last               387
_journal_volume                  40
_journal_year                    1999
_chemical_formula_sum            'H4 Li2 N4 O10 Pd'
_chemical_name_systematic        'Li2 (Pd (N O2)4) (H2 O)2'
_space_group_IT_number           52
_symmetry_space_group_name_Hall  '-P 2a 2bc'
_symmetry_space_group_name_H-M   'P n n a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.2877
_cell_length_b                   8.4286
_cell_length_c                   10.767
_cell_volume                     1024.367
_citation_journal_id_ASTM        ZSTKAI
_cod_data_source_file            Khranenko_ZSTKAI_1999_931.cif
_cod_data_source_block           H4Li2N4O10Pd1
_cod_original_formula_sum        'H4 Li2 N4 O10 Pd1'
_cod_database_code               1521395
High pressure synthesis of Ln Cr S3 (Ln = La, Ce, Nd, Sm) and La Cr1-x Fex S3 (x < 0.2) with N H4 Cd Cl3 structure type
Kikkawa, S.; Fujii, Y.; Miyamoto, Y.; Rouxel, J.; Meerschaut, A.; Lafond, A.; Materials Research Bulletin 34 (1999) 279–288; doi:

data_1521396
_publ_section_title
;
 High pressure synthesis of Ln Cr S3 (Ln = La, Ce, Nd, Sm) and La Cr1-x
 Fex S3 (x < 0.2) with N H4 Cd Cl3 structure type
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              279
_journal_page_last               288
_journal_volume                  34
_journal_year                    1999
_chemical_formula_sum            'Ce Cr S3'
_chemical_name_systematic        'Ce (Cr S3)'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.76
_cell_length_b                   3.79
_cell_length_c                   13.16
_cell_volume                     387.041
_citation_journal_id_ASTM        MRBUAC
_cod_data_source_file            Kikkawa_MRBUAC_1999_515.cif
_cod_data_source_block           Ce1Cr1S3
_cod_original_cell_volume        387.0409
_cod_original_formula_sum        'Ce1 Cr1 S3'
_cod_database_code               1521396
High pressure synthesis of Ln Cr S3 (Ln = La, Ce, Nd, Sm) and La Cr1-x Fex S3 (x < 0.2) with N H4 Cd Cl3 structure type
Kikkawa, S.; Fujii, Y.; Meerschaut, A.; Miyamoto, Y.; Lafond, A.; Rouxel, J.; Materials Research Bulletin 34 (1999) 279–288; doi:

data_1521397
_publ_section_title
;
 High pressure synthesis of Ln Cr S3 (Ln = La, Ce, Nd, Sm) and La Cr1-x
 Fex S3 (x < 0.2) with N H4 Cd Cl3 structure type
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              279
_journal_page_last               288
_journal_volume                  34
_journal_year                    1999
_chemical_formula_sum            'Cr Nd S3'
_chemical_name_systematic        'Nd (Cr S3)'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.69
_cell_length_b                   3.77
_cell_length_c                   13.06
_cell_volume                     378.626
_citation_journal_id_ASTM        MRBUAC
_cod_data_source_file            Kikkawa_MRBUAC_1999_516.cif
_cod_data_source_block           Cr1Nd1S3
_cod_original_cell_volume        378.6264
_cod_original_formula_sum        'Cr1 Nd1 S3'
_cod_database_code               1521397
High pressure synthesis of Ln Cr S3 (Ln = La, Ce, Nd, Sm) and La Cr1-x Fex S3 (x < 0.2) with N H4 Cd Cl3 structure type
Kikkawa, S.; Fujii, Y.; Miyamoto, Y.; Rouxel, J.; Lafond, A.; Meerschaut, A.; Materials Research Bulletin 34 (1999) 279–288; doi:

data_1521398
_publ_section_title
;
 High pressure synthesis of Ln Cr S3 (Ln = La, Ce, Nd, Sm) and La Cr1-x
 Fex S3 (x < 0.2) with N H4 Cd Cl3 structure type
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              279
_journal_page_last               288
_journal_volume                  34
_journal_year                    1999
_chemical_formula_sum            'Cr S3 Sm'
_chemical_name_systematic        'Sm (Cr S3)'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.64
_cell_length_b                   3.74
_cell_length_c                   12.97
_cell_volume                     370.600
_citation_journal_id_ASTM        MRBUAC
_cod_data_source_file            Kikkawa_MRBUAC_1999_517.cif
_cod_data_source_block           Cr1S3Sm1
_cod_original_cell_volume        370.5996
_cod_original_formula_sum        'Cr1 S3 Sm1'
_cod_database_code               1521398
Crystal structure and microwave dielectric properties of Ca Ti O3 -(Li1/2 Nd1/2) Ti O3 - (Ln1/3 Nd1/3) Ti O3 (Ln = La, Dy) ceramics
Kim, J.-S.; Cheon, C.-I.; Nam, S.; Lee, C.-H.; Kang, H.-J.; Kim, K.-Y.; Byun Jae Dong; Japanese Journal of Applied Physics, Part 1 38 (1999) 5633–5637; doi:

data_1521399
_publ_section_title
;
 Crystal structure and microwave dielectric properties of Ca Ti O3 -(Li1/2
 Nd1/2) Ti O3 - (Ln1/3 Nd1/3) Ti O3 (Ln = La, Dy) ceramics
;
_journal_name_full               'Japanese Journal of Applied Physics, Part 1'
_journal_page_first              5633
_journal_page_last               5637
_journal_volume                  38
_journal_year                    1999
_chemical_formula_sum            'Li0.479 Nd0.521 O2.604 Ti'
_chemical_name_systematic        '(Li0.479 Nd0.521) Ti O2.604'
_space_group_IT_number           117
_symmetry_space_group_name_Hall  'P -4 -2ab'
_symmetry_space_group_name_H-M   'P -4 b 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.377
_cell_length_b                   5.377
_cell_length_c                   7.622
_cell_volume                     220.368
_citation_journal_id_ASTM        JAPNDE
_cod_data_source_file            Kim_JAPNDE_1999_59.cif
_cod_data_source_block           Li0.479Nd0.521O2.604Ti1
_cod_original_cell_volume        220.3682
_cod_original_formula_sum        'Li0.479 Nd0.521 O2.604 Ti1'
_cod_database_code               1521399
Dielectric properties and crystal structure of Ba6-3x (Nd, M)8+2x Ti18 O54 (M = La, Bi, y) microwave ceramics
Kim, J.S.; Cheon, C.I.; Park, T.-R.; Shim, H.-S.; Journal of Materials Science 35 (2000) 1487–1494; doi:

data_1521400
_publ_section_title
;
 Dielectric properties and crystal structure of Ba6-3x (Nd, M)8+2x Ti18
 O54 (M = La, Bi, y) microwave ceramics
;
_journal_name_full               'Journal of Materials Science'
_journal_page_first              1487
_journal_page_last               1494
_journal_volume                  35
_journal_year                    2000
_chemical_formula_sum            'Ba0.998 La2.235 O13.5 Ti4.5'
_chemical_name_systematic        'Ba0.998 La2.235 Ti4.5 O13.5'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2n'
_symmetry_space_group_name_H-M   'P n a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   22.41229
_cell_length_b                   12.2777
_cell_length_c                   7.7526
_cell_volume                     2133.294
_citation_journal_id_ASTM        JMTSAS
_cod_data_source_file            Kim_JMTSAS_2000_1579.cif
_cod_data_source_block           Ba0.998La2.235O13.5Ti4.5
_cod_original_sg_symbol_Hall     '-P 2ac 2n (-x,z,y)'
_cod_database_code               1521400
Structure and thermoelectric properties of Ba6 Ge25-x, Ba6 Ge23 Sn2, and Ba6 Ge22 In3: Zintl phases with a chiral clathrate structure
Kim, S.-J.; Hu, S.-Q.; Huang, B.-Q.; Uher, C.; Corbett, J.D.; Hogan, T.; Kanatzidis, M.G.; Journal of Solid State Chemistry 153 (2000) 321–329; doi:

data_1521401
_publ_section_title
;
 Structure and thermoelectric properties of Ba6 Ge25-x, Ba6 Ge23 Sn2, and
 Ba6 Ge22 In3: Zintl phases with a chiral clathrate structure
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              321
_journal_page_last               329
_journal_volume                  153
_journal_year                    2000
_chemical_formula_sum            'Ba6 Ge24'
_space_group_IT_number           213
_symmetry_space_group_name_Hall  'P 4bd 2ab 3'
_symmetry_space_group_name_H-M   'P 41 3 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.5483
_cell_length_b                   14.5483
_cell_length_c                   14.5483
_cell_volume                     3079.192
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Kim_JSSCBI_2000_1980.cif
_cod_data_source_block           Ba6Ge24
_cod_database_code               1521401
Structure and thermoelectric properties of Ba6 Ge25-x, Ba6 Ge23 Sn2, and Ba6 Ge22 In3: Zintl phases with a chiral clathrate structure
Kim, S.-J.; Hu, S.-Q.; Corbett, J.D.; Hogan, T.; Uher, C.; Huang, B.-Q.; Kanatzidis, M.G.; Journal of Solid State Chemistry 153 (2000) 321–329; doi:

data_1521402
_publ_section_title
;
 Structure and thermoelectric properties of Ba6 Ge25-x, Ba6 Ge23 Sn2, and
 Ba6 Ge22 In3: Zintl phases with a chiral clathrate structure
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              321
_journal_page_last               329
_journal_volume                  153
_journal_year                    2000
_chemical_formula_sum            'Ba6 Ge23.32 Sn1.68'
_space_group_IT_number           212
_symmetry_space_group_name_Hall  'P 4acd 2ab 3'
_symmetry_space_group_name_H-M   'P 43 3 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.7073
_cell_length_b                   14.7073
_cell_length_c                   14.7073
_cell_volume                     3181.258
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Kim_JSSCBI_2000_1981.cif
_cod_data_source_block           Ba6Ge23.32Sn1.68
_cod_database_code               1521402
Structure and thermoelectric properties of Ba6 Ge25-x, Ba6 Ge23 Sn2, and Ba6 Ge22 In3: Zintl phases with a chiral clathrate structure
Kim, S.-J.; Hu, S.-Q.; Uher, C.; Hogan, T.; Huang, B.-Q.; Corbett, J.D.; Kanatzidis, M.G.; Journal of Solid State Chemistry 153 (2000) 321–329; doi:

data_1521403
_publ_section_title
;
 Structure and thermoelectric properties of Ba6 Ge25-x, Ba6 Ge23 Sn2, and
 Ba6 Ge22 In3: Zintl phases with a chiral clathrate structure
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              321
_journal_page_last               329
_journal_volume                  153
_journal_year                    2000
_chemical_formula_sum            'Ba6 Ge21.94 In3.06'
_space_group_IT_number           212
_symmetry_space_group_name_Hall  'P 4acd 2ab 3'
_symmetry_space_group_name_H-M   'P 43 3 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.7409
_cell_length_b                   14.7409
_cell_length_c                   14.7409
_cell_volume                     3203.111
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Kim_JSSCBI_2000_1982.cif
_cod_data_source_block           Ba6Ge21.94In3.06
_cod_database_code               1521403
Crystal structures of fully dehydrated fully Sr(2+)-exchanged zeolite X and of its ammonia sorption complex
Kim, M.J.; Seff, K.; Jeong, M.S.; Kim, Y.; Microporous and Mesoporous Materials 30 (1999) 233–241; doi:

data_1521404
_publ_section_title
;
 Crystal structures of fully dehydrated fully Sr(2+)-exchanged zeolite X
 and of its ammonia sorption complex
;
_journal_name_full               'Microporous and Mesoporous Materials'
_journal_page_first              233
_journal_page_last               241
_journal_volume                  30
_journal_year                    1999
_chemical_formula_sum            'Al92 O384 Si100 Sr46'
_chemical_name_systematic        'Sr46 (Si100 Al92 O384)'
_space_group_IT_number           203
_symmetry_space_group_name_Hall  '-F 2uv 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   25.214
_cell_length_b                   25.214
_cell_length_c                   25.214
_cell_volume                     16029.695
_citation_journal_id_ASTM        MIMMFJ
_cod_data_source_file            Kim_MIMMFJ_1999_468.cif
_cod_data_source_block           Al92O384Si100Sr46
_cod_original_cell_volume        16029.7
_cod_database_code               1521404
Crystal structures of fully dehydrated fully Sr(2+)-exchanged zeolite X and of its ammonia sorption complex
Kim, M.J.; Jeong, M.S.; Seff, K.; Kim, Y.; Microporous and Mesoporous Materials 30 (1999) 233–241; doi:

data_1521405
_publ_section_title
;
 Crystal structures of fully dehydrated fully Sr(2+)-exchanged zeolite X
 and of its ammonia sorption complex
;
_journal_name_full               'Microporous and Mesoporous Materials'
_journal_page_first              233
_journal_page_last               241
_journal_volume                  30
_journal_year                    1999
_chemical_formula_sum            'Al92 H306 N102 O384 Si100 Sr46'
_chemical_name_systematic        '(Sr46 (Si100 Al92 O384)) (N H3)102'
_space_group_IT_number           203
_symmetry_space_group_name_Hall  '-F 2uv 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   25.127
_cell_length_b                   25.127
_cell_length_c                   25.127
_cell_volume                     15864.337
_citation_journal_id_ASTM        MIMMFJ
_cod_data_source_file            Kim_MIMMFJ_1999_469.cif
_cod_data_source_block           H306Al92N102O384Si100Sr46
_cod_original_cell_volume        15864.34
_cod_original_formula_sum        'H306 Al92 N102 O384 Si100 Sr46'
_cod_database_code               1521405
Cooperative Jahn-Teller induced phase transition of Tb V O4: singlecrystal structure analyses of the tetragonal high temperaturephaseand the twinned orthorhombic phase below 33 K
Kirschbaum, K.; Martin, A.; Parrish, D.A.; Pinkerton, A.A.; Journal of Physics: Condensed Matter 11 (1999) 4483–4490; doi:

data_1521406
_publ_section_title
;
 Cooperative Jahn-Teller induced phase transition of Tb V O4:
 singlecrystal structure analyses of the tetragonal high
 temperaturephaseand the twinned orthorhombic phase below 33 K
;
_journal_name_full               'Journal of Physics: Condensed Matter'
_journal_page_first              4483
_journal_page_last               4490
_journal_volume                  11
_journal_year                    1999
_chemical_formula_sum            'O4 Tb V'
_chemical_name_systematic        'Tb (V O4)'
_space_group_IT_number           70
_symmetry_space_group_name_Hall  '-F 2uv 2vw'
_symmetry_space_group_name_H-M   'F d d d :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   10.239
_cell_length_b                   10.029
_cell_length_c                   6.3154
_cell_volume                     648.509
_citation_journal_id_ASTM        JCOMEL
_cod_data_source_file            Kirschbaum_JCOMEL_1999_95.cif
_cod_data_source_block           O4Tb1V1
_cod_original_cell_volume        648.5091
_cod_original_formula_sum        'O4 Tb1 V1'
_cod_database_code               1521406
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_1521407
_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            'Al88 H65.28 Na87.3 O416.64 Si104'
_chemical_name_systematic        'Na87.30 (Al88 Si104 O384) (H2 O)32.64'
_space_group_IT_number           203
_symmetry_space_group_name_Hall  '-F 2uv 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   24.94429
_cell_length_b                   24.94429
_cell_length_c                   24.94429
_cell_volume                     15520.776
_citation_journal_id_ASTM        JPCBFK
_cod_data_source_file            Kirschhock_JPCBFK_2000_1607.cif
_cod_data_source_block           H65.28Al88Na87.3O416.64Si104
_cod_original_cell_volume        15520.78
_cod_original_formula_sum        'H65.28 Al88 Na87.3 O416.64 Si104'
_cod_database_code               1521407
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_1521408
_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            'Al88 H14.274 K66.56 Na21.66 O391.137 Si104'
_chemical_name_systematic
'K66.56 Na21.66 (Al88 Si104 O384) (H2 O)7.137'
_space_group_IT_number           203
_symmetry_space_group_name_Hall  '-F 2uv 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   25.10419
_cell_length_b                   25.10419
_cell_length_c                   25.10419
_cell_volume                     15821.172
_citation_journal_id_ASTM        JPCBFK
_cod_data_source_file            Kirschhock_JPCBFK_2000_1608.cif
_cod_data_source_block           H14.274Al88K66.56Na21.66O391.137Si104
_cod_original_cell_volume        15821.17
_cod_original_formula_sum        'H14.274 Al88 K66.56 Na21.66 O391.137 Si104'
_cod_database_code               1521408
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_1521409
_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            'Al88 Cs4.51 H69.68 Na83.75 O418.84 Si104'
_chemical_name_systematic
'Cs4.51 Na83.75 (Al88 Si104 O384) (H2 O)34.84'
_space_group_IT_number           203
_symmetry_space_group_name_Hall  '-F 2uv 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   25.064
_cell_length_b                   25.064
_cell_length_c                   25.064
_cell_volume                     15745.307
_citation_journal_id_ASTM        JPCBFK
_cod_data_source_file            Kirschhock_JPCBFK_2000_1609.cif
_cod_data_source_block           H69.68Al88Cs4.51Na83.75O418.84Si104
_cod_original_cell_volume        15745.31
_cod_original_formula_sum        'H69.68 Al88 Cs4.51 Na83.75 O418.84 Si104'
_cod_database_code               1521409
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_1521410
_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            'Al88 Cs27.49 H37.44 Na60.88 O402.72 Si104'
_chemical_name_systematic
'Cs27.49 Na60.88 (Al88 Si104 O384) (H2 O)18.72'
_space_group_IT_number           203
_symmetry_space_group_name_Hall  '-F 2uv 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   25.073
_cell_length_b                   25.073
_cell_length_c                   25.073
_cell_volume                     15762.275
_citation_journal_id_ASTM        JPCBFK
_cod_data_source_file            Kirschhock_JPCBFK_2000_1611.cif
_cod_data_source_block           H37.44Al88Cs27.49Na60.88O402.72Si104
_cod_original_cell_volume        15762.28
_cod_original_formula_sum        'H37.44 Al88 Cs27.49 Na60.88 O402.72 Si104'
_cod_database_code               1521410
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_1521411
_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 H37.24 Na54.91 O402.62 Si136'
_chemical_name_systematic        'Na54.91 (Al56 Si136 O384) (H2 O)18.62'
_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                   24.6429
_cell_length_b                   24.6429
_cell_length_c                   24.6429
_cell_volume                     14964.956
_citation_journal_id_ASTM        JPCBFK
_cod_data_source_file            Kirschhock_JPCBFK_2000_1612.cif
_cod_data_source_block           H37.24Al56Na54.91O402.62Si136
_cod_original_cell_volume        14964.96
_cod_original_formula_sum        'H37.24 Al56 Na54.91 O402.62 Si136'
_cod_database_code               1521411