#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/cod/cif/2/00/30/2003021.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_2003021 loop_ _publ_author_name 'Binsted, N.' 'Dann, S.E.' 'Pack, M.J.' 'Weller, M.T.' _journal_name_full 'Acta Crystallographica, Section B' _journal_page_first 558 _journal_page_last 563 _journal_volume 54 _journal_year 1998 _chemical_formula_sum 'Ca8 Ga8 H8 O32 Si4' _symmetry_cell_setting cubic _symmetry_space_group_name_Hall 'I -4 2 3' _symmetry_space_group_name_H-M 'I -4 3 m' _cell_angle_alpha 90.0 _cell_angle_beta 90.0 _cell_angle_gamma 90.0 _cell_formula_units_Z 1 _cell_length_a 8.93460(10) _cell_length_b 8.93460(10) _cell_length_c 8.93460(10) _cell_volume 713.22 _diffrn_radiation_probe neutron _diffrn_radiation_type neutron _diffrn_radiation_wavelength 1.594 _cod_original_formula_sum 'H8 Ca8 Ga8 O32 Si4' _cod_database_code 2003021 loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ga .25 .5 .0 0.67 Si .25 .5 .0 0.33 O1 .1399(2) .1399(2) .4131(3) 1.0 Ca .1418(4) .1418(4) .1418(4) 1.0 O2 .3837(3) .3837(3) .3837(3) 1.0 H .3120(10) .3120(10) .359(2) 0.33