#------------------------------------------------------------------------------ #$Date: 2009-05-13 21:45:18 +0300 (Wed, 13 May 2009) $ #$Revision: 720 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/1011098.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_1011098 _chemical_name_systematic 'Tellurium' _chemical_name_mineral 'Tellurium' _chemical_compound_source 'synthetic' _chemical_formula_structural 'Te' _chemical_formula_sum 'Te' _publ_section_title 'The crystal structure of tellurium' loop_ _publ_author_name 'Bradley, A J' _journal_name_full 'Philosophical Magazine, Serie 6 (1901-1925)' _journal_coden_ASTM PHMAA4 _journal_volume 48 _journal_year 1924 _journal_page_first 477 _journal_page_last 496 _cell_length_a 4.454 _cell_length_b 4.454 _cell_length_c 5.924 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 101.8 _cell_formula_units_Z 3 _exptl_crystal_density_meas 6.31(8) _symmetry_space_group_name_H-M 'P 31 2 1' _symmetry_Int_Tables_number 152 _symmetry_cell_setting trigonal loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' '-y,x-y,1/3+z' 'y-x,-x,2/3+z' 'y,x,-z' '-x,y-x,1/3-z' 'x-y,-y,2/3-z' loop_ _atom_type_symbol _atom_type_oxidation_number Te0 0.000 loop_ _atom_site_label _atom_site_type_symbol _atom_site_symmetry_multiplicity _atom_site_Wyckoff_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_attached_hydrogens _atom_site_calc_flag Te1 Te0 3 a 0.269 0. 0.3333 1. 0 d _refine_ls_R_factor_all 0.05