#------------------------------------------------------------------------------ #$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176428 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/54/20/1542007.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_1542007 loop_ _publ_author_name 'Maksimov, B.A.' 'Ilyukhin, V.V.' 'Kharitonov, Yu.A.' 'Belov, N.V.' _publ_section_title ; Crystal structure of yttrium oxyorthosilicate Y2 O3 Si O2 and Y2 Si O5. Dual function of yttrium ; _journal_name_full Kristallografiya _journal_page_first 926 _journal_page_last 933 _journal_volume 15 _journal_year 1970 _chemical_formula_sum 'O5 Si Y2' _chemical_name_systematic 'Y2 (Si O4) O' _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 102.65 _cell_angle_gamma 90 _cell_formula_units_Z 8 _cell_length_a 10.41 _cell_length_b 6.721 _cell_length_c 12.49 _cell_volume 852.658 _citation_journal_id_ASTM KRISAJ _cod_data_source_file Maksimov_KRISAJ_1970_226.cif _cod_data_source_block O5Si1Y2 _cod_original_cell_volume 852.6581 _cod_original_sg_symbol_Hall '-C 2yc (x+z,y,-x)' _cod_chemical_formula_sum_orig 'O5 Si1 Y2' _cod_database_code 1542007 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x+1/2,y,-z -x,-y,-z x-1/2,-y,z x+1/2,y+1/2,z+1/2 -x+1,y+1/2,-z+1/2 -x+1/2,-y+1/2,-z+1/2 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 O2 O-2 0.446 -0.002 0.089 1 0.0 O3 O-2 0.468 -0.157 0.298 1 0.0 Si1 Si+4 0.373 -0.093 0.181 1 0.0 O1 O-2 0.3 -0.287 0.118 1 0.0 O5 O-2 0.382 0.398 -0.015 1 0.0 O4 O-2 0.263 0.071 0.203 1 0.0 Y1 Y+3 0.306 0.378 0.141 1 0.0 Y2 Y+3 0.429 -0.257 -0.037 1 0.0