LMucko/crystallography-open-database huggingface dataset:
New silica clathrate minerals that are isostructural with natural gas hydrates
Momma, K.; Ikeda, T.; Nishikubo, K.; Takahashi, N.; Honma, C.; Takada, M.; Furukawa, Y.; Nagase, T.; Kudoh, Y.; Nature Communications 2 (2011) 1–7; doi:10.1138/ncomms1196

data_1546291
_publ_section_title
;
 New silica clathrate minerals that are isostructural with natural gas
 hydrates
;
_journal_name_full               'Nature Communications'
_journal_page_first              1
_journal_page_last               7
_journal_paper_doi               10.1138/ncomms1196
_journal_volume                  2
_journal_year                    2011
_chemical_formula_sum            'Al0.024 Na0.015 O4 Si1.978'
_chemical_name_common            'silica clathrate sII'
_chemical_name_mineral           chibaite
_space_group_IT_number           88
_space_group_name_H-M_alt        'I 41/a'
_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            68
_cell_length_a                   13.7002(2)
_cell_length_b                   13.7002(2)
_cell_length_c                   19.4438(4)
_cell_volume                     3649.51(11)
_cod_data_source_file            chibaite-tetra.cif
_cod_data_source_block           chibaite-tetra
_cod_original_formula_sum        'Na0.015 Si1.978 Al0.024 O4'
_cod_database_code               1546291
Structure determination of (N2C2H10)4(NH4)AlP4O16 : a new aluminophosphate templated by ethylenediamine
Riou, D.; Loiseau, T.; Ferey, G.; Journal of Solid State Chemistry 99 (1992) 414–418; doi:10.1016/0022-4596(92)90332-P

data_1546292
_publ_section_title
;
 Structure determination of (N2C2H10)4(NH4)AlP4O16 : a new
 aluminophosphate templated by ethylenediamine
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              414
_journal_page_last               418
_journal_paper_doi               10.1016/0022-4596(92)90332-P
_journal_volume                  99
_journal_year                    1992
_chemical_formula_sum            'C8 H44 Al N9 O16 P4'
_chemical_formula_weight         673.36
_space_group_IT_number           82
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      82
_symmetry_space_group_name_Hall  'I -4'
_symmetry_space_group_name_H-M   'I -4'
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            2
_cell_length_a                   9.1545(5)
_cell_length_b                   9.1545(5)
_cell_length_c                   17.1810(8)
_cell_volume                     1439.85(13)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.349
_exptl_crystal_density_diffrn    1.553
_exptl_crystal_F_000             712
_refine_ls_number_parameters     131
_refine_ls_number_reflns         2686
_refine_ls_R_factor_gt           0.022
_refine_ls_wR_factor_gt          0.023
_cod_data_source_file            JSSC-1992-99-414-418.cif
_cod_data_source_block           AlP4O16
_cod_original_cell_volume        1439.85(17)
_cod_original_formula_sum        'H44 C8 Al N9 O16 P4'
_cod_database_code               1546292
Preparation and crystal structure of (Se4)2(Sb4F17(SbF6)3
Minkwitz, Rolf; Borrmann, Horst; Nowicki, Joachim; Zeitschrift fur Naturforschung B 46 (1991) 629–634; doi:10.1515/znb-1991-0512

data_7228453
_publ_section_title
;
 Preparation and crystal structure of (Se4)2(Sb4F17(SbF6)3
;
_journal_name_full               'Zeitschrift fur Naturforschung B'
_journal_page_first              629
_journal_page_last               634
_journal_paper_doi               10.1515/znb-1991-0512
_journal_volume                  46
_journal_year                    1991
_chemical_formula_sum            'F35 Sb7 Se8'
_chemical_formula_weight         2149.00
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.
_cell_angle_beta                 93.10(2)
_cell_angle_gamma                90.
_cell_formula_units_Z            2
_cell_length_a                   11.241(2)
_cell_length_b                   13.427(2)
_cell_length_c                   11.512(3)
_cell_volume                     1735.0(6)
_diffrn_ambient_temperature      198
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    13.156
_exptl_crystal_density_diffrn    4.113
_exptl_crystal_F_000             1888
_refine_ls_goodness_of_fit_ref   1.2732
_refine_ls_number_parameters     230
_refine_ls_number_reflns         1934
_refine_ls_R_factor_all          0.0788
_refine_ls_R_factor_gt           0.0709
_refine_ls_wR_factor_gt          0.0751
_refine_ls_wR_factor_ref         0.0755
_cod_data_source_file            Z-Naturforsch-1991-46b-629-634.cif
_cod_data_source_block           Sb7Se8F35
_cod_original_cell_volume        1735.0(5)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'Sb7 Se8 F35'
_cod_database_code               7228453
A synthetic gallophosphate molecular sieve with a 20-tetrahedral-atom pore opening
Estermann, M.; McCusker, L. B.; Baerlocher, C.; Merrouche, A.; Kessler, H.; Nature 352 (1991) 320–323; doi:10.1038/352320a0

data_1546303
_publ_section_title
;
 A synthetic gallophosphate molecular sieve with a 20-tetrahedral-atom
 pore opening
;
_journal_name_full               Nature
_journal_page_first              320
_journal_page_last               323
_journal_paper_doi               10.1038/352320a0
_journal_volume                  352
_journal_year                    1991
_chemical_formula_sum            'F96 Ga384 O1584 P384'
_chemical_formula_weight         65834.5
_space_group_IT_number           226
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      226
_symmetry_space_group_name_Hall  '-F 4a 2 3'
_symmetry_space_group_name_H-M   'F m -3 c'
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            2
_cell_length_a                   52.712
_cell_length_b                   52.712
_cell_length_c                   52.712
_cell_volume                     146463.188
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    3.753
_exptl_crystal_density_diffrn    1.493
_exptl_crystal_F_000             62400
_refine_ls_number_reflns         1174
_refine_ls_R_factor_gt           0.087
_refine_ls_wR_factor_gt          0.076
_cod_data_source_file            Nature-1991-352-320-323.cif
_cod_data_source_block           gallophosphate
_cod_original_cell_volume        146463.203
_cod_original_sg_symbol_Hall     '-F 4c 2 3'
_cod_database_code               1546303
Studies on clathrasils VIII. Nonasils-[4158], 88SiO2.8M8.8M9.4M20 : synthesis, thermal properties, and crystal structure
Marler, B.; Dehnbostel, N.; Eulert, H. -H.; Gies, H.; Liebau, F.; Journal of Inclusion Phenomena 4 (1986) 339–349; doi:10.1007/BF00656161

data_1546304
_publ_section_title
;
 Studies on clathrasils VIII. Nonasils-[4158], 88SiO2.8M8.8M9.4M20 :
 synthesis, thermal properties, and crystal structure
;
_journal_name_full               'Journal of Inclusion Phenomena'
_journal_page_first              339
_journal_page_last               349
_journal_paper_doi               10.1007/BF00656161
_journal_volume                  4
_journal_year                    1986
_chemical_formula_sum            'C5 H13 N O44 Si22'
_chemical_formula_weight         1409.02
_space_group_IT_number           69
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      69
_symmetry_space_group_name_Hall  '-F 2 2'
_symmetry_space_group_name_H-M   'F m m m'
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   22.232(6)
_cell_length_b                   15.058(4)
_cell_length_c                   13.627(4)
_cell_volume                     4562(2)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.643
_exptl_crystal_density_diffrn    1.94
_refine_ls_number_reflns         550
_refine_ls_wR_factor_gt          0.125
_cod_data_source_file            J-Inclus-Phenom-1986-4-339-349.cif
_cod_data_source_block           88SiO2-4[CH3CH(NH2)C3H7]
_cod_original_formula_sum        'H13 C5 N O44 Si22'
_cod_database_code               1546304
Studies on clathrasils. IX - Crystal structure of deca-dodecasil 3R, the missing link between zeolites and clathrasils
Gies, H.; Zeitschrift fur Kristallographie 175 (1986) 93–104; doi:10.1524/zkri.1986.175.14.93

data_8104528
_publ_section_title
;
 Studies on clathrasils. IX - Crystal structure of deca-dodecasil 3R, the
 missing link between zeolites and clathrasils
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              93
_journal_page_last               104
_journal_paper_doi               10.1524/zkri.1986.175.14.93
_journal_volume                  175
_journal_year                    1986
_chemical_formula_sum            'C60 H102 N24 O240 Si120'
_chemical_formula_weight         8369.72
_space_group_IT_number           166
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_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            1
_cell_length_a                   13.860(3)
_cell_length_b                   13.860(3)
_cell_length_c                   40.891(8)
_cell_volume                     6803(2)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.588
_refine_ls_number_reflns         2930
_refine_ls_R_factor_gt           0.197
_refine_ls_wR_factor_gt          0.066
_cod_data_source_file            Z-Krist-1986-175-93-104.cif
_cod_data_source_block           deca-dodecasil-3R
_cod_original_cell_volume        6803(4)
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_original_formula_sum        'H102 C60 N24 O240 Si120'
_cod_database_code               8104528
Crystal structure of ytterbium nickel dialuminium, YbNiAl2 with MgCuAl2 type
E. Parthe; R. E. Gladyshevskii; Zeitschrift fur Kristallographie - Crystalline Materials 199 (1992) 316–317; doi:10.1524/zkri.1992.199.14.316

data_8104529
_publ_section_title
;
 Crystal structure of ytterbium nickel dialuminium, YbNiAl2 with MgCuAl2
 type
;
_journal_name_full
'Zeitschrift fur Kristallographie - Crystalline Materials'
_journal_page_first              316
_journal_page_last               317
_journal_paper_doi               10.1524/zkri.1992.199.14.316
_journal_volume                  199
_journal_year                    1992
_chemical_formula_sum            'Al2 Ni Yb'
_chemical_formula_weight         285.696
_space_group_IT_number           63
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   4.0402(5)
_cell_length_b                   9.889(1)
_cell_length_c                   6.824(2)
_cell_volume                     272.64(9)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    39.835
_exptl_crystal_density_diffrn    6.960
_exptl_crystal_F_000             496
_refine_ls_number_parameters     15
_refine_ls_number_reflns         215
_refine_ls_wR_factor_gt          0.035
_cod_data_source_file            Z-Krist-1992-199-316-317.cif
_cod_data_source_block           YbNiAl2
_cod_database_code               8104529
Crystal structure of 1,3-bis(1-methylbenzimidazol-2-yl)- propane(acetonitrile)copper(I)hexafluorophosphate, Cu(C19H20N4)(CH3CN)(PF6)
G. Bernardinelli; A. Kubel-Pollak; S. Ruttimann; A. F. Williams; Zeitschrift fur Kristallographie - Crystalline Materials 203 (1993) 135–137; doi:10.1524/zkri.1993.203.12.135

data_8104530
_publ_section_title
;
 Crystal structure of 1,3-bis(1-methylbenzimidazol-2-yl)-
 propane(acetonitrile)copper(I)hexafluorophosphate,
 Cu(C19H20N4)(CH3CN)(PF6)
;
_journal_name_full
'Zeitschrift fur Kristallographie - Crystalline Materials'
_journal_page_first              135
_journal_page_last               137
_journal_paper_doi               10.1524/zkri.1993.203.12.135
_journal_volume                  203
_journal_year                    1993
_chemical_formula_sum            'C21 H23 Cu F6 N5 P'
_chemical_formula_weight         553.95
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                65.178(9)
_cell_angle_beta                 75.75(1)
_cell_angle_gamma                82.335(7)
_cell_formula_units_Z            2
_cell_length_a                   7.5373(8)
_cell_length_b                   12.357(1)
_cell_length_c                   14.286(2)
_cell_volume                     1169.8(2)
_diffrn_ambient_temperature      298
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    1.067
_exptl_crystal_density_diffrn    1.564
_exptl_crystal_F_000             558
_refine_ls_number_parameters     310
_refine_ls_number_reflns         2425
_refine_ls_wR_factor_gt          0.069
_cod_data_source_file            Z-Krist-1993-203-135-137.cif
_cod_data_source_block           CuC19H20N4
_cod_depositor_comments
;
 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2017-07-11
;
_cod_original_formula_sum        'H23 C21 Cu F6 N5 P'
_cod_database_code               8104530
Synthesis, 19F, 125Te NMR spectra and crystal structure of NBu4TeF5 and NH4TeF5 (NH4F)0.25 ('(NH4)2TeF6')
Kokunov, Yu. V.; Gorbunova, Yu. E.; Afanasjev, V. M.; Petrov, V. N.; Dadidovich, R. L.; Buslaev, Yu. A.; Journal of Fluorine Chemistry 50 (1990) 285–298; doi:10.1016/S0022-1139(00)84994-5

data_1546324
_publ_section_title
;
 Synthesis, 19F, 125Te NMR spectra and crystal structure of NBu4TeF5 and
 NH4TeF5 (NH4F)0.25 ('(NH4)2TeF6')
;
_journal_name_full               'Journal of Fluorine Chemistry'
_journal_page_first              285
_journal_page_last               298
_journal_paper_doi               10.1016/S0022-1139(00)84994-5
_journal_volume                  50
_journal_year                    1990
_chemical_formula_sum            'C16 H36 F5 N Te'
_chemical_formula_weight         465.054
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      4
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90.
_cell_angle_beta                 96.73(1)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   12.556(2)
_cell_length_b                   13.032(1)
_cell_length_c                   12.635(2)
_cell_volume                     2053.2(5)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_refine_ls_number_reflns         4108
_refine_ls_R_factor_gt           0.043
_cod_data_source_file            J-Fluor-Chem-1990-50-285-298-1.cif
_cod_data_source_block           NBu4TeF5
_cod_original_sg_symbol_H-M      'P 21'
_cod_original_formula_sum        'H36 C16 F5 N Te'
_cod_database_code               1546324
Synthesis, 19F, 125Te NMR spectra and crystal structure of NBu4TeF5 and NH4TeF5 (NH4F)0.25 ('(NH4)2TeF6')
Kokunov, Yu. V.; Gorbunova, Yu. E.; Afanasjev, V. M.; Petrov, V. N.; Dadidovich, R. L.; Buslaev, Yu. A.; Journal of Fluorine Chemistry 50 (1990) 285–298; doi:10.1016/S0022-1139(00)84994-5

data_1546325
_publ_section_title
;
 Synthesis, 19F, 125Te NMR spectra and crystal structure of NBu4TeF5 and
 NH4TeF5 (NH4F)0.25 ('(NH4)2TeF6')
;
_journal_name_full               'Journal of Fluorine Chemistry'
_journal_page_first              285
_journal_page_last               298
_journal_paper_doi               10.1016/S0022-1139(00)84994-5
_journal_volume                  50
_journal_year                    1990
_chemical_formula_sum            'F5.25 H5 N1.25 Te'
_chemical_formula_weight         249.889
_space_group_IT_number           114
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      114
_symmetry_space_group_name_Hall  'P -4 2n'
_symmetry_space_group_name_H-M   'P -4 21 c'
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            8
_cell_length_a                   13.754(2)
_cell_length_b                   13.754(2)
_cell_length_c                   5.9258(6)
_cell_volume                     1121.0(3)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_refine_ls_number_reflns         758
_refine_ls_R_factor_gt           0.066
_cod_data_source_file            J-Fluor-Chem-1990-50-285-298-2.cif
_cod_data_source_block           2
_cod_original_formula_sum        'H5 F5.25 N1.25 Te'
_cod_database_code               1546325
On the highest hydrates of sulfuric acid : formation and structure of H2SO4 . 6.6 H2O and H2SO4 . 8 H2O
Mootz, Dietrich; Merschenz-Quack, Angelika; Zeitschrift fur Naturforschung B 42 (1987) 1231–1236; doi:10.1515/znb-1987-1004

data_7228504
_publ_section_title
;
 On the highest hydrates of sulfuric acid : formation and structure of
 H2SO4 . 6.6 H2O and H2SO4 . 8 H2O
;
_journal_name_full               'Zeitschrift fur Naturforschung B'
_journal_page_first              1231
_journal_page_last               1236
_journal_paper_doi               10.1515/znb-1987-1004
_journal_volume                  42
_journal_year                    1987
_chemical_formula_sum            'H15 O10.5 S'
_chemical_formula_weight         215.177
_space_group_IT_number           8
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      8
_symmetry_space_group_name_Hall  'C -2y'
_symmetry_space_group_name_H-M   'C 1 m 1'
_cell_angle_alpha                90.
_cell_angle_beta                 112.26(1)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   6.287(1)
_cell_length_b                   26.876(5)
_cell_length_c                   5.936(1)
_cell_volume                     928.3(3)
_diffrn_ambient_temperature      189
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.38
_exptl_crystal_density_diffrn    1.54
_exptl_crystal_F_000             460
_refine_ls_number_parameters     1381
_refine_ls_number_reflns         169
_refine_ls_R_factor_all          0.019
_refine_ls_R_factor_gt           0.018
_refine_ls_wR_factor_gt          0.025
_refine_ls_wR_factor_ref         0.025
_cod_data_source_file            Z-Naturforsch-1987-42b-1231-1236-1.cif
_cod_data_source_block           H2SO4-6.5H2O
_cod_depositor_comments
;
(H5O2)(H7O3)SO4 . 1.5 H2O
;
_cod_original_sg_symbol_H-M      'C m'
_cod_database_code               7228504
On the highest hydrates of sulfuric acid : formation and structure of H2SO4 . 6.6 H2O and H2SO4 . 8 H2O
Mootz, Dietrich; Merschenz-Quack, Angelika; Zeitschrift fur Naturforschung B 42 (1987) 1231–1236; doi:10.1515/znb-1987-1004

data_7228505
_publ_section_title
;
 On the highest hydrates of sulfuric acid : formation and structure of
 H2SO4 . 6.6 H2O and H2SO4 . 8 H2O
;
_journal_name_full               'Zeitschrift fur Naturforschung B'
_journal_page_first              1231
_journal_page_last               1236
_journal_paper_doi               10.1515/znb-1987-1004
_journal_volume                  42
_journal_year                    1987
_chemical_formula_moiety         'O4 S, 4(H2 O), 2(H5 O2)'
_chemical_formula_sum            'H18 O12 S'
_chemical_formula_weight         242.2
_space_group_IT_number           122
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      122
_symmetry_space_group_name_Hall  'I -4 2bw'
_symmetry_space_group_name_H-M   'I -4 2 d'
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   7.467(4)
_cell_length_b                   7.467(4)
_cell_length_c                   21.445(11)
_cell_volume                     1195.7(11)
_diffrn_ambient_temperature      163
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.31
_exptl_crystal_density_diffrn    1.35
_exptl_crystal_F_000             520
_refine_ls_number_parameters     709
_refine_ls_number_reflns         54
_refine_ls_R_factor_all          0.025
_refine_ls_R_factor_gt           0.022
_refine_ls_wR_factor_gt          0.031
_refine_ls_wR_factor_ref         0.031
_cod_data_source_file            Z-Naturforsch-1987-42b-1231-1236-2.cif
_cod_data_source_block           H2SO4-8H2O
_cod_depositor_comments
;
(H5O2)2 SO4 . 4 H2O
;
_cod_original_cell_volume        11.957
_cod_database_code               7228505
The crystal and molecular structure of the symmetrical silasesquioxane H8Si8O12 at 100K, a molecular building block of some zeolites
Auf der Heyde, Thomas P. E.; Burgi, Hans-Beat; Burgy, Heribert; Tornroos, Karl, W.; Chimia 45 (1991) 38–40; doi:

data_1546331
_publ_section_title
;
 The crystal and molecular structure of the symmetrical silasesquioxane
 H8Si8O12 at 100K, a molecular building block of some zeolites
;
_journal_name_full               Chimia
_journal_page_first              38
_journal_page_last               40
_journal_volume                  45
_journal_year                    1991
_chemical_formula_sum            'H8 O12 Si8'
_chemical_formula_weight         424.74
_space_group_IT_number           148
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                120.
_cell_formula_units_Z            3
_cell_length_a                   9.0471(13)
_cell_length_b                   9.0471(13)
_cell_length_c                   15.162(4)
_cell_volume                     1074.7(4)
_diffrn_ambient_temperature      100
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           AgK\a
_diffrn_radiation_wavelength     0.56083
_exptl_absorpt_coefficient_mu    0.409
_exptl_crystal_density_diffrn    1.97
_refine_ls_number_parameters     35
_refine_ls_number_reflns         1150
_refine_ls_R_factor_gt           0.0314
_refine_ls_wR_factor_gt          0.0302
_refine_ls_wR_factor_ref         0.0504
_cod_data_source_file            Chimia-1991-45-38-40.cif
_cod_data_source_block           H8Si8O12
_cod_original_cell_volume        1074.8(5)
_cod_original_sg_symbol_H-M      'R -3'
_cod_database_code               1546331