#------------------------------------------------------------------------------ #$Date: 2015-09-05 14:40:50 +0300 (Sat, 05 Sep 2015) $ #$Revision: 154475 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/52/98/1529828.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_1529828 loop_ _publ_author_name 'Dyuzheva, T.I.' 'Bendeliani, N.A.' 'Kabalkina, S.S.' _publ_section_title ; New high-pressure phases of Re O3 ; _journal_name_full 'Journal of the Less-Common Metals' _journal_page_first 313 _journal_page_last 317 _journal_volume 133 _journal_year 1987 _chemical_formula_sum 'O3 Re' _chemical_name_systematic 'Re O3' _space_group_IT_number 182 _symmetry_space_group_name_Hall 'P 6c 2c' _symmetry_space_group_name_H-M 'P 63 2 2' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_formula_units_Z 2 _cell_length_a 4.848 _cell_length_b 4.848 _cell_length_c 4.48 _cell_volume 91.187 _citation_journal_id_ASTM JCOMAH _cod_data_source_file Dyuzheva_JCOMAH_1987_1457.cif _cod_data_source_block O3Re1 _cod_original_cell_volume 91.1872 _cod_chemical_formula_sum_orig 'O3 Re1' _cod_database_code 1529828 loop_ _symmetry_equiv_pos_as_xyz x,y,z x-y,x,z+1/2 -y,x-y,z -x,-y,z+1/2 -x+y,-x,z y,-x+y,z+1/2 -y,-x,-z+1/2 x-y,-y,-z x,x-y,-z+1/2 y,x,-z -x+y,y,-z+1/2 -x,-x+y,-z 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 Re1 Re+6 0.3333 0.6667 0.25 1 0.0 O1 O-2 0.3333 0 0 1 0.0