#------------------------------------------------------------------------------ #$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $ #$Revision: 211196 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/53/61/1536176.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_1536176 loop_ _publ_author_name 'Joergens, S.' 'Johrendt, D.' 'Mewis, A.' _publ_section_title ; Ba P4 Te2 - A ternary telluride with P-Te bonds and a structural fragment of black phosphorus ; _journal_name_full 'Chemistry - A European Journal' _journal_page_first 2405 _journal_page_last 2410 _journal_volume 9 _journal_year 2003 _chemical_formula_sum 'Ba P4 Te2' _space_group_IT_number 62 _symmetry_space_group_name_Hall '-P 2ac 2n' _symmetry_space_group_name_H-M 'P n m a' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 16.486 _cell_length_b 6.484 _cell_length_c 7.076 _cell_volume 756.391 _citation_journal_id_ASTM CEUJED _cod_data_source_file Joergens_CEUJED_2003_739.cif _cod_data_source_block Ba1P4Te2 _cod_original_cell_volume 756.3906 _cod_original_formula_sum 'Ba1 P4 Te2' _cod_database_code 1536176 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x+1/2,-y,z+1/2 x+1/2,-y+1/2,-z+1/2 -x,y+1/2,-z -x,-y,-z x-1/2,y,-z-1/2 -x-1/2,y-1/2,z-1/2 x,-y-1/2,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 Ba1 Ba 0.16245 0.25 0.10147 1 0.0 P2 P 0.06499 0.0079 0.4616 1 0.0 P3 P 0.0953 0.25 0.6684 1 0.0 Te1 Te 0.24624 0.25 -0.40136 1 0.0 P1 P 0.3781 0.25 0.12 1 0.0 Te2 Te 0.06123 -0.25 -0.061 1 0.0