LMucko/crystallography-open-database huggingface dataset:
Synthesis and structural characterization of the first quaternary plutonium thiophosphates : K3 Pu (P S4)2 and A Pu P2 S7 (A = K, Rb,Cs)
Hess, R.F.; Gordon, P.L.; Tait, C.D.; Abney, K.D.; Dorhout, P.K.; Journal of the American Chemical Society 124 (2002) 1327–1333; doi:

data_4124501
_publ_section_title
;
 Synthesis and structural characterization of the first quaternary
 plutonium thiophosphates : K3 Pu (P S4)2 and A Pu P2 S7 (A = K, Rb,Cs)
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              1327
_journal_page_last               1333
_journal_volume                  124
_journal_year                    2002
_chemical_formula_sum            'P2 Pu Rb S7'
_chemical_name_systematic        'Rb Pu (P2 S7)'
_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                 90.564
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.8011
_cell_length_b                   12.3977
_cell_length_c                   9.0263
_cell_volume                     1096.742
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Hess_JACSAT_2002_327.cif
_cod_data_source_block           P2Pu1Rb1S7
_cod_original_cell_volume        1096.743
_cod_original_formula_sum        'P2 Pu1 Rb1 S7'
_cod_database_code               4124501
Structure and physical properties of the thermoelectric skutterudites Euy Fe4-x Cox Sb12
Grytsiv, A.V.; Paul, C.; Berger, S.; Rogl, P.; Bauer, E.; Ni, B.; Saccone, A.; Abd-Elmeguid, M.M.; Kaczorowski, D.; Ferro, R.; Physical Review, Serie 3. B - Condensed Matter (18,1978-) 66 (2002) 094411-1–094411-11; doi:

data_1531428
_publ_section_title
;
 Structure and physical properties of the thermoelectric skutterudites Euy
 Fe4-x Cox Sb12
;
_journal_name_full
'Physical Review, Serie 3. B - Condensed Matter (18,1978-)'
_journal_page_first              094411-1
_journal_page_last               094411-11
_journal_volume                  66
_journal_year                    2002
_chemical_formula_sum            'Co1.5 Eu0.63 Fe2.5 Sb12'
_chemical_name_systematic        'Eu0.63 Fe2.5 Co1.5 Sb12'
_space_group_IT_number           204
_symmetry_space_group_name_Hall  '-I 2 2 3'
_symmetry_space_group_name_H-M   'I m -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.1257
_cell_length_b                   9.1257
_cell_length_c                   9.1257
_cell_volume                     759.974
_citation_journal_id_ASTM        PRBMDO
_cod_data_source_file            Grytsiv_PRBMDO_2002_1752.cif
_cod_data_source_block           Co1.5Eu0.63Fe2.5Sb12
_cod_original_cell_volume        759.9737
_cod_database_code               1531428
Crystal structures of the double salt dihydrates K2 Cd (Se O4)2 * 2(H2 O), K2 Mn (S O4)2 * 2(H2 O), (N H4)2 Cu (Se O4)2 * 2(H2 O) andK Fe H (S O4)2 * 2(H2 O)
Fleck, M.; Giester, G.; Kolitsch, U.; Hertweck, B.; Wildner, M.; Prem, M.; Wohlschlaeger, A.; Zeitschrift fuer Kristallographie (149,1979-) 217 (2002) 242–248; doi:

data_8103748
_publ_section_title
;
 Crystal structures of the double salt dihydrates K2 Cd (Se O4)2 * 2(H2
 O), K2 Mn (S O4)2 * 2(H2 O), (N H4)2 Cu (Se O4)2 * 2(H2 O) andK Fe H (S
 O4)2 * 2(H2 O)
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              242
_journal_page_last               248
_journal_volume                  217
_journal_year                    2002
_chemical_formula_sum            'Fe H5 K O10 S2'
_chemical_name_systematic        'K Fe H (S O4)2 (H2 O)2'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                103.86
_cell_angle_beta                 99.77
_cell_angle_gamma                95.66
_cell_formula_units_Z            1
_cell_length_a                   4.626
_cell_length_b                   5.82
_cell_length_c                   8.265
_cell_volume                     210.641
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Fleck_ZEKRDZ_2002_1055.cif
_cod_data_source_block           H5Fe1K1O10S2
_cod_original_cell_volume        210.6413
_cod_original_formula_sum        'H5 Fe1 K1 O10 S2'
_cod_database_code               8103748
Synthesis and structural characterization of the first quaternary plutonium thiophosphates : K3 Pu (P S4)2 and A Pu P2 S7 (A = K, Rb,Cs)
Hess, R.F.; Gordon, P.L.; Tait, C.D.; Abney, K.D.; Dorhout, P.K.; Journal of the American Chemical Society 124 (2002) 1327–1333; doi:

data_4124502
_publ_section_title
;
 Synthesis and structural characterization of the first quaternary
 plutonium thiophosphates : K3 Pu (P S4)2 and A Pu P2 S7 (A = K, Rb,Cs)
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              1327
_journal_page_last               1333
_journal_volume                  124
_journal_year                    2002
_chemical_formula_sum            'Cs P2 Pu S7'
_chemical_name_systematic        'Cs Pu (P2 S7)'
_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                 91.007
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.1034
_cell_length_b                   12.5412
_cell_length_c                   9.0306
_cell_volume                     1144.079
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Hess_JACSAT_2002_329.cif
_cod_data_source_block           Cs1P2Pu1S7
_cod_original_formula_sum        'Cs1 P2 Pu1 S7'
_cod_database_code               4124502
Structure and physical properties of the thermoelectric skutterudites Euy Fe4-x Cox Sb12
Grytsiv, A.V.; Abd-Elmeguid, M.M.; Rogl, P.; Berger, S.; Paul, C.; Ni, B.; Bauer, E.; Saccone, A.; Ferro, R.; Kaczorowski, D.; Physical Review, Serie 3. B - Condensed Matter (18,1978-) 66 (2002) 094411-1–094411-11; doi:

data_1531429
_publ_section_title
;
 Structure and physical properties of the thermoelectric skutterudites Euy
 Fe4-x Cox Sb12
;
_journal_name_full
'Physical Review, Serie 3. B - Condensed Matter (18,1978-)'
_journal_page_first              094411-1
_journal_page_last               094411-11
_journal_volume                  66
_journal_year                    2002
_chemical_formula_sum            'Co3.5 Eu0.42 Fe0.5 Sb12'
_chemical_name_systematic        'Eu0.42 Fe0.5 Co3.5 Sb12'
_space_group_IT_number           204
_symmetry_space_group_name_Hall  '-I 2 2 3'
_symmetry_space_group_name_H-M   'I m -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.0819
_cell_length_b                   9.0819
_cell_length_c                   9.0819
_cell_volume                     749.083
_citation_journal_id_ASTM        PRBMDO
_cod_data_source_file            Grytsiv_PRBMDO_2002_1753.cif
_cod_data_source_block           Co3.5Eu0.42Fe0.5Sb12
_cod_original_cell_volume        749.0833
_cod_database_code               1531429
Effects from hydrogen bonds on water structure in (H3 O)2 (Mo6 Cl8 X6) * y(H2 O) : X = Cl(y=7), Br(y=6) or I(y=6)
Flemstroem, A.; Hirsch, T.K.; Sehlstedt, L.; Lidin, S.; Ojamaee, L.; Solid State Sciences 4 (2002) 1017–1022; doi:

data_1531430
_publ_section_title
;
 Effects from hydrogen bonds on water structure in (H3 O)2 (Mo6 Cl8 X6) *
 y(H2 O) : X = Cl(y=7), Br(y=6) or I(y=6)
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              1017
_journal_page_last               1022
_journal_volume                  4
_journal_year                    2002
_chemical_formula_sum            'Cl14 H20 Mo6 O9'
_chemical_name_systematic        '(H3 O)2 (Cl8 (Mo Cl)6) (H2 O)7'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 98.13
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   17.3607
_cell_length_b                   9.1351
_cell_length_c                   18.63
_cell_volume                     2924.870
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            Flemstroem_SSSCFJ_2002_876.cif
_cod_data_source_block           H20Cl14Mo6O9
_cod_original_cell_volume        2924.87
_cod_original_formula_sum        'H20 Cl14 Mo6 O9'
_cod_database_code               1531430
Cubic-tetragonal-orthorhombic-rhombohedral ferroelectric transitions in perovskite potassium niobate. Nneutron powder profile refinement of the structures
Hewat, A.W.; Journal of Physics C 6 (1973) 2559–2572; doi:

data_1531431
_publ_section_title
;
 Cubic-tetragonal-orthorhombic-rhombohedral ferroelectric transitions in
 perovskite potassium niobate. Nneutron powder profile refinement of the
 structures
;
_journal_name_full               'Journal of Physics C'
_journal_page_first              2559
_journal_page_last               2572
_journal_volume                  6
_journal_year                    1973
_chemical_formula_sum            'K Nb O3'
_chemical_name_systematic        'K (Nb O3)'
_space_group_IT_number           99
_symmetry_space_group_name_Hall  'P 4 -2'
_symmetry_space_group_name_H-M   'P 4 m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   3.996
_cell_length_b                   3.996
_cell_length_c                   4.063
_cell_volume                     64.878
_citation_journal_id_ASTM        JPSOAW
_cod_data_source_file            Hewat_JPSOAW_1973_648.cif
_cod_data_source_block           K1Nb1O3
_cod_original_cell_volume        64.87805
_cod_original_formula_sum        'K1 Nb1 O3'
_cod_database_code               1531431
High-pressure structure of Li2 C O3
Grzechnik, A.; Bouvier, P.; Farina, L.; Journal of Solid State Chemistry 173 (2003) 13–19; doi:

data_1531432
_publ_section_title
;
 High-pressure structure of Li2 C O3
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              13
_journal_page_last               19
_journal_volume                  173
_journal_year                    2003
_chemical_formula_sum            'C Li2 O3'
_chemical_name_systematic        'Li2 (C O3)'
_space_group_IT_number           193
_symmetry_space_group_name_Hall  '-P 6c 2'
_symmetry_space_group_name_H-M   'P 63/m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   4.4568
_cell_length_b                   4.4568
_cell_length_c                   5.1254
_cell_volume                     88.167
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Grzechnik_JSSCBI_2003_1572.cif
_cod_data_source_block           C1Li2O3
_cod_original_cell_volume        88.16672
_cod_original_formula_sum        'C1 Li2 O3'
_cod_database_code               1531432
Effects from hydrogen bonds on water structure in (H3 O)2 (Mo6 Cl8 X6) * y(H2 O) : X = Cl(y=7), Br(y=6) or I(y=6)
Flemstroem, A.; Hirsch, T.K.; Ojamaee, L.; Lidin, S.; Sehlstedt, L.; Solid State Sciences 4 (2002) 1017–1022; doi:

data_1531433
_publ_section_title
;
 Effects from hydrogen bonds on water structure in (H3 O)2 (Mo6 Cl8 X6) *
 y(H2 O) : X = Cl(y=7), Br(y=6) or I(y=6)
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              1017
_journal_page_last               1022
_journal_volume                  4
_journal_year                    2002
_chemical_formula_sum            'Br6 Cl8 H18 Mo6 O8'
_chemical_name_systematic        '(H3 O)2 (Cl8 (Mo Br)6) (H2 O)6'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 101.04
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   17.4295
_cell_length_b                   9.3803
_cell_length_c                   9.3769
_cell_volume                     1504.695
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            Flemstroem_SSSCFJ_2002_877.cif
_cod_data_source_block           H18Br6Cl8Mo6O8
_cod_original_sg_symbol_Hall     '-P 2ybc (z,y,-x)'
_cod_original_formula_sum        'H18 Br6 Cl8 Mo6 O8'
_cod_database_code               1531433
Cu C N : a polymorphic material. Structure of one form determined from total neutron diffraction
Hibble, S.J.; Cheyne, S.M.; Hannon, A.C.; Eversfield, S.G.; Inorganic Chemistry 41 (2002) 4990–4992; doi:

data_4344114
_publ_section_title
;
 Cu C N : a polymorphic material. Structure of one form determined from
 total neutron diffraction
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4990
_journal_page_last               4992
_journal_volume                  41
_journal_year                    2002
_chemical_formula_sum            'C Cu N'
_chemical_name_systematic        'Cu (C N)'
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   5.912
_cell_length_b                   5.912
_cell_length_c                   4.86107
_cell_volume                     147.140
_citation_journal_id_ASTM        INOCAJ
_cod_data_source_file            Hibble_INOCAJ_2002_294.cif
_cod_data_source_block           C1Cu1N1
_cod_original_cell_volume        147.1402
_cod_original_formula_sum        'C1 Cu1 N1'
_cod_database_code               4344114
Effects from hydrogen bonds on water structure in (H3 O)2 (Mo6 Cl8 X6) * y(H2 O) : X = Cl(y=7), Br(y=6) or I(y=6)
Flemstroem, A.; Hirsch, T.K.; Sehlstedt, L.; Lidin, S.; Ojamaee, L.; Solid State Sciences 4 (2002) 1017–1022; doi:

data_1531434
_publ_section_title
;
 Effects from hydrogen bonds on water structure in (H3 O)2 (Mo6 Cl8 X6) *
 y(H2 O) : X = Cl(y=7), Br(y=6) or I(y=6)
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              1017
_journal_page_last               1022
_journal_volume                  4
_journal_year                    2002
_chemical_formula_sum            'Cl8 H18 I6 Mo6 O8'
_chemical_name_systematic        '(H3 O)2 (Cl8 (Mo I)6) (H2 O)6'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 100.2
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   18.0083
_cell_length_b                   9.7612
_cell_length_c                   9.8139
_cell_volume                     1697.849
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            Flemstroem_SSSCFJ_2002_878.cif
_cod_data_source_block           H18Cl8I6Mo6O8
_cod_original_sg_symbol_Hall     '-P 2ybc (z,y,-x)'
_cod_original_formula_sum        'H18 Cl8 I6 Mo6 O8'
_cod_database_code               1531434
Scheelite to fergusonite phase transition in Y Li F4 at high pressures
Grzechnik, A.; Syassen, K.; Loa, I.; Hanfland, M.; Gesland, J.Y.; Physical Review, Serie 3. B - Condensed Matter (18,1978-) 65 (2002) 104102-1–104102-6; doi:

data_1531435
_publ_section_title
;
 Scheelite to fergusonite phase transition in Y Li F4 at high pressures
;
_journal_name_full
'Physical Review, Serie 3. B - Condensed Matter (18,1978-)'
_journal_page_first              104102-1
_journal_page_last               104102-6
_journal_volume                  65
_journal_year                    2002
_chemical_formula_sum            'F4 Li Y'
_chemical_name_systematic        'Y Li F4'
_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                   4.9589
_cell_length_b                   4.9589
_cell_length_c                   10.505
_cell_volume                     258.325
_citation_journal_id_ASTM        PRBMDO
_cod_data_source_file            Grzechnik_PRBMDO_2002_1739.cif
_cod_data_source_block           F4Li1Y1
_cod_original_cell_volume        258.3252
_cod_original_formula_sum        'F4 Li1 Y1'
_cod_database_code               1531435
Structural phase transition and structural properties in oxygenated La2 Cu O4+y; y = 0.02
Hidaka, M.; Tanaka, K.; Wakimoto, H.; Yoshimura, M.; Ohba, M.; Yamada, K.; Phase Transition 74 (2001) 391–408; doi:

data_1531436
_publ_section_title
;
 Structural phase transition and structural properties in oxygenated La2
 Cu O4+y; y = 0.02
;
_journal_name_full               'Phase Transition'
_journal_page_first              391
_journal_page_last               408
_journal_volume                  74
_journal_year                    2001
_chemical_formula_sum            'Cu La2 O4.02'
_chemical_name_systematic        'La2 Cu O4.02'
_space_group_IT_number           56
_symmetry_space_group_name_Hall  '-P 2ab 2ac'
_symmetry_space_group_name_H-M   'P c c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.3788
_cell_length_b                   5.385
_cell_length_c                   13.139
_cell_volume                     380.569
_citation_journal_id_ASTM        PHTRDP
_cod_data_source_file            Hidaka_PHTRDP_2001_133.cif
_cod_data_source_block           Cu1La2O4.02
_cod_original_formula_sum        'Cu1 La2 O4.02'
_cod_database_code               1531436
Structural study of A2 Cu Ti O6 (A = Y, Tb-Lu) compounds
Floros, N.; Rijssenbeek, J.T.; Martinson, A.B.; Poeppelmeier, K.R.; Solid State Sciences 4 (2002) 1495–1498; doi:

data_1531437
_publ_section_title
;
 Structural study of A2 Cu Ti O6 (A = Y, Tb-Lu) compounds
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              1495
_journal_page_last               1498
_journal_volume                  4
_journal_year                    2002
_chemical_formula_sum            'Cu O6 Ti Y2'
_chemical_name_systematic        'Y2 (Cu Ti O6)'
_space_group_IT_number           185
_symmetry_space_group_name_Hall  'P 6c -2'
_symmetry_space_group_name_H-M   'P 63 c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   6.172
_cell_length_b                   6.172
_cell_length_c                   11.482
_cell_volume                     378.791
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            Floros_SSSCFJ_2002_909.cif
_cod_data_source_block           Cu1O6Ti1Y2
_cod_original_cell_volume        378.7913
_cod_original_formula_sum        'Cu1 O6 Ti1 Y2'
_cod_database_code               1531437
Scheelite to fergusonite phase transition in Y Li F4 at high pressures
Grzechnik, A.; Syassen, K.; Hanfland, M.; Loa, I.; Gesland, J.Y.; Physical Review, Serie 3. B - Condensed Matter (18,1978-) 65 (2002) 104102-1–104102-6; doi:

data_1531438
_publ_section_title
;
 Scheelite to fergusonite phase transition in Y Li F4 at high pressures
;
_journal_name_full
'Physical Review, Serie 3. B - Condensed Matter (18,1978-)'
_journal_page_first              104102-1
_journal_page_last               104102-6
_journal_volume                  65
_journal_year                    2002
_chemical_formula_sum            'F4 Li Y'
_chemical_name_systematic        'Y Li F4'
_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                 95.279
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.0416
_cell_length_b                   10.4174
_cell_length_c                   4.7808
_cell_volume                     250.024
_citation_journal_id_ASTM        PRBMDO
_cod_data_source_file            Grzechnik_PRBMDO_2002_1740.cif
_cod_data_source_block           F4Li1Y1
_cod_original_cell_volume        250.0244
_cod_original_sg_symbol_Hall     '-C 2yc (x+z,y,-x)'
_cod_original_formula_sum        'F4 Li1 Y1'
_cod_database_code               1531438
Structural study of A2 Cu Ti O6 (A = Y, Tb-Lu) compounds
Floros, N.; Rijssenbeek, J.T.; Poeppelmeier, K.R.; Martinson, A.B.; Solid State Sciences 4 (2002) 1495–1498; doi:

data_1531439
_publ_section_title
;
 Structural study of A2 Cu Ti O6 (A = Y, Tb-Lu) compounds
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              1495
_journal_page_last               1498
_journal_volume                  4
_journal_year                    2002
_chemical_formula_sum            'Cu O6 Tb2 Ti'
_chemical_name_systematic        'Tb2 (Cu Ti O6)'
_space_group_IT_number           185
_symmetry_space_group_name_Hall  'P 6c -2'
_symmetry_space_group_name_H-M   'P 63 c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   6.252
_cell_length_b                   6.252
_cell_length_c                   11.422
_cell_volume                     386.644
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            Floros_SSSCFJ_2002_910.cif
_cod_data_source_block           Cu1O6Tb2Ti1
_cod_original_cell_volume        386.6435
_cod_original_formula_sum        'Cu1 O6 Tb2 Ti1'
_cod_database_code               1531439
The structure of Li-phillipsite
Gualtieri, A.F.; Studies in Surface Science and Catalysis 135 (2001) 25–32; doi:

data_1531440
_publ_section_title
;
 The structure of Li-phillipsite
;
_journal_name_full               'Studies in Surface Science and Catalysis'
_journal_page_first              25
_journal_page_last               32
_journal_volume                  135
_journal_year                    2001
_chemical_formula_sum
'Al5.92 Ca0.52 H26.62 K0.15 Li4 Na0.54 O45.31 Si10.08'
_chemical_name_systematic
;
(Ca0.52 Na0.54) K0.15 Li4 (Al5.92 Si10.08 O32) (H2 O)13.31
;
_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                 124.37
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   9.8719
_cell_length_b                   14.1791
_cell_length_c                   8.7184
_cell_volume                     1007.292
_citation_journal_id_ASTM        SSCTDM
_cod_data_source_file            Gualtieri_SSCTDM_2001_640.cif
_cod_data_source_block           H26.62Al5.92Ca0.52K0.15Li4Na0.54O45.31Si10.08
_cod_original_formula_sum
'H26.62 Al5.92 Ca0.52 K0.15 Li4 Na0.54 O45.31 Si10.08'
_cod_database_code               1531440