#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/52/09/1520934.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_1520934 loop_ _publ_author_name 'Champarnaud-Mesjard, J.C.' 'Blanchandin, S.' 'Thomas, P.' 'Mirgorodsky, A.' 'Frit, B.' 'Merle-Mejean, T.' _publ_section_title ; Crystal structure, Raman spectrum and lattice dynamics of a new metastable form of tellurium dioxide : gamma-(Te O2) ; _journal_name_full 'Journal of Physics and Chemistry of Solids' _journal_page_first 1499 _journal_page_last 1507 _journal_volume 61 _journal_year 2000 _chemical_formula_sum 'O2 Te' _chemical_name_systematic 'Te O2' _space_group_IT_number 19 _symmetry_space_group_name_Hall 'P 2ac 2ab' _symmetry_space_group_name_H-M 'P 21 21 21' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 4.898 _cell_length_b 8.576 _cell_length_c 4.351 _cell_volume 182.765 _citation_journal_id_ASTM JPCSAW _cod_data_source_file Champarnaud-Mesjard_JPCSAW_2000_1622.cif _cod_data_source_block O2Te1 _cod_original_cell_volume 182.7648 _cod_original_formula_sum 'O2 Te1' _cod_database_code 1520934 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x+1/2,-y,z+1/2 x+1/2,-y+1/2,-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 Te1 Te+4 0.9696 0.1016 0.1358 1 0.0 O1 O-2 0.759 0.281 0.173 1 0.0 O2 O-2 0.855 0.036 0.727 1 0.0