LMucko/crystallography-open-database huggingface dataset:
Phase transition between hydrogen superstructures with k=(001) and k=0 via incommensurate phase in Zr V2 Dx (2.8 <x <3.9)
Irodova, A.V.; Andre, G.; Bouree, F.; Journal of Alloys Compd. 302 (2000) 159–168; doi:

data_1521215
_publ_section_title
;
 Phase transition between hydrogen superstructures with k=(001) and k=0
 via incommensurate phase in Zr V2 Dx (2.8 <x <3.9)
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              159
_journal_page_last               168
_journal_volume                  302
_journal_year                    2000
_chemical_formula_sum            'D2.8 V2 Zr'
_chemical_name_systematic        'Zr V2 D2.8'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 125.31
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.4756
_cell_length_b                   5.4248
_cell_length_c                   9.474
_cell_volume                     229.646
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Irodova_JALCEU_2000_1315.cif
_cod_data_source_block           D2.8V2Zr1
_cod_original_cell_volume        229.6458
_cod_original_formula_sum        'D2.8 V2 Zr1'
_cod_database_code               1521215
Phase transition between hydrogen superstructures with k=(001) and k=0 via incommensurate phase in Zr V2 Dx (2.8 <x <3.9)
Irodova, A.V.; Andre, G.; Bouree, F.; Journal of Alloys Compd. 302 (2000) 159–168; doi:

data_1521216
_publ_section_title
;
 Phase transition between hydrogen superstructures with k=(001) and k=0
 via incommensurate phase in Zr V2 Dx (2.8 <x <3.9)
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              159
_journal_page_last               168
_journal_volume                  302
_journal_year                    2000
_chemical_formula_sum            'D3.9 V2 Zr'
_chemical_name_systematic        'Zr V2 D3.9'
_space_group_IT_number           88
_symmetry_space_group_name_Hall  '-I 4ad'
_symmetry_space_group_name_H-M   'I 41/a :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.4854
_cell_length_b                   5.4854
_cell_length_c                   7.9231
_cell_volume                     238.403
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Irodova_JALCEU_2000_1316.cif
_cod_data_source_block           D3.9V2Zr1
_cod_original_formula_sum        'D3.9 V2 Zr1'
_cod_database_code               1521216
Structural phase transition in the ammoniated alkali C60 compound (N H3) K3 C60
Ishii, K.; Iwasa, Y.; Watanuki, T.; Fujii, Y.; Fujiwara, A.; Mitani, T.; Suematsu, H.; Shimoda, H.; Murakami, Y.; Nakao, H.; Physical Review, Serie 3. B - Condensed Matter (18,1978-) 59 (1999) 3956–3960; doi:

data_1521217
_publ_section_title
;
 Structural phase transition in the ammoniated alkali C60 compound (N H3)
 K3 C60
;
_journal_name_full
'Physical Review, Serie 3. B - Condensed Matter (18,1978-)'
_journal_page_first              3956
_journal_page_last               3960
_journal_volume                  59
_journal_year                    1999
_chemical_formula_sum            'C60 H3 K3 N'
_chemical_name_systematic        '(N H3) K3 C60'
_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            32
_cell_length_a                   29.791
_cell_length_b                   29.873
_cell_length_c                   27.112
_cell_volume                     24128.231
_citation_journal_id_ASTM        PRBMDO
_cod_data_source_file            Ishii_PRBMDO_1999_695.cif
_cod_data_source_block           C60H3K3N1
_cod_original_cell_volume        24128.23
_cod_original_formula_sum        'C60 H3 K3 N1'
_cod_database_code               1521217
Ueber Natrium- und Kaliumamidometallate des Calciums, Strontiums und Europiums
Jacobs, H.; Fink, U.; Journal of the Less-Common Metals 63 (1979) 273–286; doi:

data_1521218
_publ_section_title
;
 Ueber Natrium- und Kaliumamidometallate des Calciums, Strontiums und
 Europiums
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              273
_journal_page_last               286
_journal_volume                  63
_journal_year                    1979
_chemical_formula_sum            'Eu3 H16 N8 Na2'
_chemical_name_systematic        'Na2 Eu3 (N H2)8'
_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            6
_cell_length_a                   23.13
_cell_length_b                   10.51
_cell_length_c                   7.535
_cell_volume                     1831.731
_citation_journal_id_ASTM        JCOMAH
_cod_data_source_file            Jacobs_JCOMAH_1979_1662.cif
_cod_data_source_block           H16Eu3N8Na2
_cod_original_formula_sum        'H16 Eu3 N8 Na2'
_cod_database_code               1521218
Structure and vibrational spectra of argyrodite family compounds Cu8 Si X6 (X = S, Se) and Cu8 Ge S6
Ishii, M.; Shibata, K.; Onoda, M.; Solid State Ionics 121 (1999) 11–18; doi:

data_1521219
_publ_section_title
;
 Structure and vibrational spectra of argyrodite family compounds Cu8 Si
 X6 (X = S, Se) and Cu8 Ge S6
;
_journal_name_full               'Solid State Ionics'
_journal_page_first              11
_journal_page_last               18
_journal_volume                  121
_journal_year                    1999
_chemical_formula_sum            'Cu8 Se6 Si'
_chemical_name_systematic        'Cu8 Si Se6'
_space_group_IT_number           31
_symmetry_space_group_name_Hall  'P 2ac -2'
_symmetry_space_group_name_H-M   'P m n 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.2835
_cell_length_b                   7.2185
_cell_length_c                   10.2281
_cell_volume                     537.752
_citation_journal_id_ASTM        SSIOD3
_cod_data_source_file            Ishii_SSIOD3_1999_754.cif
_cod_data_source_block           Cu8Se6Si1
_cod_original_formula_sum        'Cu8 Se6 Si1'
_cod_database_code               1521219
Structural studies with Tb Ni2 B2 C single crystals and Tbx Y1-x Ni2 B2 C polycrystals
Jaenicke-Roessler, U.; Belger, A.; Zahn, G.; Bitterlich, H.; Wehner, B.; Paufler, P.; Physica C (Amsterdam) 314 (1999) 43–50; doi:

data_1521220
_publ_section_title
;
 Structural studies with Tb Ni2 B2 C single crystals and Tbx Y1-x Ni2 B2 C
 polycrystals
;
_journal_name_full               'Physica C (Amsterdam)'
_journal_page_first              43
_journal_page_last               50
_journal_volume                  314
_journal_year                    1999
_chemical_formula_sum            'C B2 Ni2 Tb0.082 Y0.918'
_chemical_name_systematic        '(Y0.918 Tb0.082) Ni2 B2 C'
_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                   3.5296
_cell_length_b                   3.5296
_cell_length_c                   10.5308
_cell_volume                     131.194
_citation_journal_id_ASTM        PHYCE6
_cod_data_source_file            Jaenicke-Roessler_PHYCE6_1999_613.cif
_cod_data_source_block           C1B2Ni2Tb0.082Y0.918
_cod_original_cell_volume        131.1935
_cod_original_formula_sum        'C1 B2 Ni2 Tb0.082 Y0.918'
_cod_database_code               1521220
Structural and magnetic studies of manganese-containing pyrochlore oxides
Ismunandar; Kennedy, B.J.; Hunter, B.A.; Journal of Alloys Compd. 302 (2000) 94–100; doi:

data_1521221
_publ_section_title
;
 Structural and magnetic studies of manganese-containing pyrochlore oxides
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              94
_journal_page_last               100
_journal_volume                  302
_journal_year                    2000
_chemical_formula_sum            'Mn O7 Sb Y2'
_chemical_name_systematic        'Y2 ((Mn Sb) O6) O'
_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            8
_cell_length_a                   10.1752
_cell_length_b                   10.1752
_cell_length_c                   10.1752
_cell_volume                     1053.486
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Ismunandar_JALCEU_2000_1318.cif
_cod_data_source_block           Mn1O7Sb1Y2
_cod_original_formula_sum        'Mn1 O7 Sb1 Y2'
_cod_database_code               1521221
Structural studies with Tb Ni2 B2 C single crystals and Tbx Y1-x Ni2 B2 C polycrystals
Jaenicke-Roessler, U.; Belger, A.; Bitterlich, H.; Zahn, G.; Paufler, P.; Wehner, B.; Physica C (Amsterdam) 314 (1999) 43–50; doi:

data_1521222
_publ_section_title
;
 Structural studies with Tb Ni2 B2 C single crystals and Tbx Y1-x Ni2 B2 C
 polycrystals
;
_journal_name_full               'Physica C (Amsterdam)'
_journal_page_first              43
_journal_page_last               50
_journal_volume                  314
_journal_year                    1999
_chemical_formula_sum            'C B2 Ni2 Tb0.328 Y0.672'
_chemical_name_systematic        '(Y0.672 Tb0.328) Ni2 B2 C'
_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                   3.5354
_cell_length_b                   3.5354
_cell_length_c                   10.5086
_cell_volume                     131.348
_citation_journal_id_ASTM        PHYCE6
_cod_data_source_file            Jaenicke-Roessler_PHYCE6_1999_614.cif
_cod_data_source_block           C1B2Ni2Tb0.328Y0.672
_cod_original_cell_volume        131.3475
_cod_original_formula_sum        'C1 B2 Ni2 Tb0.328 Y0.672'
_cod_database_code               1521222
Structural and magnetic studies of manganese-containing pyrochlore oxides
Ismunandar; Kennedy, B.J.; Hunter, B.A.; Journal of Alloys Compd. 302 (2000) 94–100; doi:

data_1521223
_publ_section_title
;
 Structural and magnetic studies of manganese-containing pyrochlore oxides
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              94
_journal_page_last               100
_journal_volume                  302
_journal_year                    2000
_chemical_formula_sum            'Mn O7 Sb Sm2'
_chemical_name_systematic        'Sm2 ((Mn Sb) O6) O'
_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            8
_cell_length_a                   10.3478
_cell_length_b                   10.3478
_cell_length_c                   10.3478
_cell_volume                     1108.011
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Ismunandar_JALCEU_2000_1319.cif
_cod_data_source_block           Mn1O7Sb1Sm2
_cod_original_formula_sum        'Mn1 O7 Sb1 Sm2'
_cod_database_code               1521223
Structural studies with Tb Ni2 B2 C single crystals and Tbx Y1-x Ni2 B2 C polycrystals
Jaenicke-Roessler, U.; Zahn, G.; Belger, A.; Wehner, B.; Bitterlich, H.; Paufler, P.; Physica C (Amsterdam) 314 (1999) 43–50; doi:

data_1521224
_publ_section_title
;
 Structural studies with Tb Ni2 B2 C single crystals and Tbx Y1-x Ni2 B2 C
 polycrystals
;
_journal_name_full               'Physica C (Amsterdam)'
_journal_page_first              43
_journal_page_last               50
_journal_volume                  314
_journal_year                    1999
_chemical_formula_sum            'C B2 Ni2 Tb0.698 Y0.302'
_chemical_name_systematic        '(Y0.302 Tb0.698) Ni2 B2 C'
_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                   3.5455
_cell_length_b                   3.5455
_cell_length_c                   10.4659
_cell_volume                     131.562
_citation_journal_id_ASTM        PHYCE6
_cod_data_source_file            Jaenicke-Roessler_PHYCE6_1999_615.cif
_cod_data_source_block           C1B2Ni2Tb0.698Y0.302
_cod_original_cell_volume        131.5623
_cod_original_formula_sum        'C1 B2 Ni2 Tb0.698 Y0.302'
_cod_database_code               1521224
Structural and magnetic studies of manganese-containing pyrochlore oxides
Ismunandar; Kennedy, B.J.; Hunter, B.A.; Journal of Alloys Compd. 302 (2000) 94–100; doi:

data_1521225
_publ_section_title
;
 Structural and magnetic studies of manganese-containing pyrochlore oxides
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              94
_journal_page_last               100
_journal_volume                  302
_journal_year                    2000
_chemical_formula_sum            'Eu2 Mn O7 Sb'
_chemical_name_systematic        'Eu2 ((Mn Sb) O6) O'
_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            8
_cell_length_a                   10.316
_cell_length_b                   10.316
_cell_length_c                   10.316
_cell_volume                     1097.827
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Ismunandar_JALCEU_2000_1320.cif
_cod_data_source_block           Eu2Mn1O7Sb1
_cod_original_formula_sum        'Eu2 Mn1 O7 Sb1'
_cod_database_code               1521225
Structural studies with Tb Ni2 B2 C single crystals and Tbx Y1-x Ni2 B2 C polycrystals
Jaenicke-Roessler, U.; Belger, A.; Zahn, G.; Wehner, B.; Paufler, P.; Bitterlich, H.; Physica C (Amsterdam) 314 (1999) 43–50; doi:

data_1521226
_publ_section_title
;
 Structural studies with Tb Ni2 B2 C single crystals and Tbx Y1-x Ni2 B2 C
 polycrystals
;
_journal_name_full               'Physica C (Amsterdam)'
_journal_page_first              43
_journal_page_last               50
_journal_volume                  314
_journal_year                    1999
_chemical_formula_sum            'C B2 Ni2 Tb0.952 Y0.048'
_chemical_name_systematic        '(Y0.048 Tb0.952) Ni2 B2 C'
_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                   3.5507
_cell_length_b                   3.5507
_cell_length_c                   10.4467
_cell_volume                     131.706
_citation_journal_id_ASTM        PHYCE6
_cod_data_source_file            Jaenicke-Roessler_PHYCE6_1999_616.cif
_cod_data_source_block           C1B2Ni2Tb0.952Y0.048
_cod_original_cell_volume        131.7065
_cod_original_formula_sum        'C1 B2 Ni2 Tb0.952 Y0.048'
_cod_database_code               1521226
Structural and magnetic studies of manganese-containing pyrochlore oxides
Ismunandar; Kennedy, B.J.; Hunter, B.A.; Journal of Alloys Compd. 302 (2000) 94–100; doi:

data_1521227
_publ_section_title
;
 Structural and magnetic studies of manganese-containing pyrochlore oxides
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              94
_journal_page_last               100
_journal_volume                  302
_journal_year                    2000
_chemical_formula_sum            'Gd2 Mn O7 Sb'
_chemical_name_systematic        'Gd2 ((Mn Sb) O6) O'
_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            8
_cell_length_a                   10.2832
_cell_length_b                   10.2832
_cell_length_c                   10.2832
_cell_volume                     1087.389
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Ismunandar_JALCEU_2000_1322.cif
_cod_data_source_block           Gd2Mn1O7Sb1
_cod_original_formula_sum        'Gd2 Mn1 O7 Sb1'
_cod_database_code               1521227
Structural studies with Tb Ni2 B2 C single crystals and Tbx Y1-x Ni2 B2 C polycrystals
Jaenicke-Roessler, U.; Belger, A.; Zahn, G.; Wehner, B.; Bitterlich, H.; Paufler, P.; Physica C (Amsterdam) 314 (1999) 43–50; doi:

data_1521228
_publ_section_title
;
 Structural studies with Tb Ni2 B2 C single crystals and Tbx Y1-x Ni2 B2 C
 polycrystals
;
_journal_name_full               'Physica C (Amsterdam)'
_journal_page_first              43
_journal_page_last               50
_journal_volume                  314
_journal_year                    1999
_chemical_formula_sum            'C B2 Ni2 Tb'
_chemical_name_systematic        'Tb Ni2 B2 C'
_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                   3.54757
_cell_length_b                   3.54757
_cell_length_c                   10.4484
_cell_volume                     131.496
_citation_journal_id_ASTM        PHYCE6
_cod_data_source_file            Jaenicke-Roessler_PHYCE6_1999_617.cif
_cod_data_source_block           C1B2Ni2Tb1
_cod_original_cell_volume        131.4957
_cod_original_formula_sum        'C1 B2 Ni2 Tb1'
_cod_database_code               1521228
Structural and magnetic studies of manganese-containing pyrochlore oxides
Ismunandar; Kennedy, B.J.; Hunter, B.A.; Journal of Alloys Compd. 302 (2000) 94–100; doi:

data_1521229
_publ_section_title
;
 Structural and magnetic studies of manganese-containing pyrochlore oxides
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              94
_journal_page_last               100
_journal_volume                  302
_journal_year                    2000
_chemical_formula_sum            'Mn O7 Sb Tb2'
_chemical_name_systematic        'Tb2 ((Mn Sb) O6) O'
_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            8
_cell_length_a                   10.2428
_cell_length_b                   10.2428
_cell_length_c                   10.2428
_cell_volume                     1074.623
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Ismunandar_JALCEU_2000_1323.cif
_cod_data_source_block           Mn1O7Sb1Tb2
_cod_original_formula_sum        'Mn1 O7 Sb1 Tb2'
_cod_database_code               1521229
Structure and phase transitions in the ferroelastic (C (N H2)3)3 Bi2 Br9 crystal
Jakubas, R.; Zaleski, J.; Kosturek, B.; Bator, G.; Journal of Physics: Condensed Matter 11 (1999) 4731–4746; doi:

data_1521230
_publ_section_title
;
 Structure and phase transitions in the ferroelastic (C (N H2)3)3 Bi2 Br9
 crystal
;
_journal_name_full               'Journal of Physics: Condensed Matter'
_journal_page_first              4731
_journal_page_last               4746
_journal_volume                  11
_journal_year                    1999
_chemical_formula_sum            'C3 H18 Bi2 Br9 N9'
_chemical_name_systematic        '(C (N H2)3)3 (Br3 (Bi Br3)2)'
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 97.54
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.834
_cell_length_b                   20.176
_cell_length_c                   8.463
_cell_volume                     1326.085
_citation_journal_id_ASTM        JCOMEL
_cod_data_source_file            Jakubas_JCOMEL_1999_96.cif
_cod_data_source_block           C3H18Bi2Br9N9
_cod_original_cell_volume        1326.086
_cod_database_code               1521230
Structural and magnetic studies of manganese-containing pyrochlore oxides
Ismunandar; Kennedy, B.J.; Hunter, B.A.; Journal of Alloys Compd. 302 (2000) 94–100; doi:

data_1521231
_publ_section_title
;
 Structural and magnetic studies of manganese-containing pyrochlore oxides
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              94
_journal_page_last               100
_journal_volume                  302
_journal_year                    2000
_chemical_formula_sum            'Dy2 Mn O7 Sb'
_chemical_name_systematic        'Dy2 ((Mn Sb) O6) O'
_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            8
_cell_length_a                   10.2151
_cell_length_b                   10.2151
_cell_length_c                   10.2151
_cell_volume                     1065.928
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Ismunandar_JALCEU_2000_1324.cif
_cod_data_source_block           Dy2Mn1O7Sb1
_cod_original_formula_sum        'Dy2 Mn1 O7 Sb1'
_cod_database_code               1521231
Crystal structure of an ammonia sorption complex of dehydrated fully Ca(2+)-exchanged zeolite X
Jang, S.B.; Jeong, M.S.; Kim, Y.; Song, S.H.; Seff, K.; Microporous and Mesoporous Materials 28 (1999) 173–183; doi:

data_1521232
_publ_section_title
;
 Crystal structure of an ammonia sorption complex of dehydrated fully
 Ca(2+)-exchanged zeolite X
;
_journal_name_full               'Microporous and Mesoporous Materials'
_journal_page_first              173
_journal_page_last               183
_journal_volume                  28
_journal_year                    1999
_chemical_formula_sum            'Al92 Ca46 H403.8 N134.6 O384 Si100'
_chemical_name_systematic        '(N H3)134.6 (Ca46 (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                   24.904
_cell_length_b                   24.904
_cell_length_c                   24.904
_cell_volume                     15445.690
_citation_journal_id_ASTM        MIMMFJ
_cod_data_source_file            Jang_MIMMFJ_1999_465.cif
_cod_data_source_block           H403.8Al92Ca46N134.6O384Si100
_cod_original_cell_volume        15445.69
_cod_original_formula_sum        'H403.8 Al92 Ca46 N134.6 O384 Si100'
_cod_database_code               1521232