#------------------------------------------------------------------------------ #$Date: 2013-05-02 23:58:48 +0300 (Thu, 02 May 2013) $ #$Revision: 84991 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/51/15/1511540.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_1511540 loop_ _publ_author_name 'Bubnova, R.S.' 'Anderson, J.E.' 'Filatov, S.K.' 'Fundamenskii, V.S.' _publ_section_title ; New layered polyanion in alpha-(Cs B5 O8) high-temperature modification ; _journal_name_full 'Solid State Sciences' _journal_page_first 87 _journal_page_last 91 _journal_volume 4 _journal_year 2002 _chemical_formula_sum 'B5 Cs O8' _chemical_name_systematic 'Cs (B5 O8)' _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 116.64 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 7.122 _cell_length_b 9.64 _cell_length_c 11.411 _cell_volume 700.266 _citation_journal_id_ASTM SSSCFJ _[local]_cod_data_source_file boron4-x_175.cif _[local]_cod_data_source_block B5Cs1O8 _[local]_cod_chemical_formula_sum_orig 'B5 Cs1 O8' _cod_original_cell_volume 700.2663 _cod_database_code 1511540 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,y+1/2,-z+1/2 -x,-y,-z x,-y-1/2,z-1/2 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_U_iso_or_equiv O4 O-2 0.9392 0.2196 0.4377 1 0.0 B3 B+3 0.8678 0.587 0.821 1 0.0 B5 B+3 0.4685 0.2454 0.4825 1 0.0 B2 B+3 0.1463 0.1882 0.4922 1 0.0 O8 O-2 0.2625 0.2045 0.4238 1 0.0 O3 O-2 0.9237 0.1097 0.6251 1 0.0 B1 B+3 0.8347 0.2184 0.5229 1 0.0 Cs1 Cs+1 0.30149 0.99073 0.2191 1 0.0 O7 O-2 0.609 0.1926 0.4449 1 0.0 O6 O-2 0.5278 0.3454 0.5791 1 0.0 O5 O-2 0.7514 0.6385 0.8813 1 0.0 B4 B+3 0.7268 0.4037 0.6285 1 0.0 O1 O-2 0.7541 0.5161 0.7072 1 0.0 O2 O-2 0.8691 0.3561 0.59 1 0.0