#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/cod/cif/2/00/30/2003022.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_2003022 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_moiety ? _chemical_formula_sum 'Ca8 Ga8 H8 O32 Si4' _chemical_formula_weight ? _symmetry_cell_setting tetragonal _symmetry_space_group_name_Hall 'I -4' _symmetry_space_group_name_H-M 'I -4' _cell_angle_alpha 90.0 _cell_angle_beta 90.0 _cell_angle_gamma 90.0 _cell_formula_units_Z 1 _cell_length_a 8.9346(2) _cell_length_b 8.9346(2) _cell_length_c 8.9346(2) _cell_volume 713.22 _diffrn_radiation_probe neutron _diffrn_radiation_type neutron _diffrn_radiation_wavelength 1.594 _exptl_absorpt_coefficient_mu ? _exptl_crystal_density_diffrn ? _exptl_crystal_density_meas ? _exptl_crystal_F_000 ? _cod_original_formula_sum 'H8 Ca8 Ga8 O32 Si4' _cod_database_code 2003022 loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Ga .5 .2449(9) .0 Si1 .0 .5 .25 Si2 .0 .5 .75 O1 .4147(9) .1259(7) .1434(6) O2 .15110(10) .15110(10) .4087(10) O3 .1259(7) .4147(9) .1434(6) Ca .1402(4) .1402(4) .1402(4) O4 .3833(5) .3833(5) .3833(5) H .350(3) .3108(15) .3108(15)