#------------------------------------------------------------------------------ #$Date: 2016-01-01 14:34:45 +0200 (Fri, 01 Jan 2016) $ #$Revision: 172365 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/54/11/1541132.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_1541132 loop_ _publ_author_name 'Pilchowski, I.' 'Gruehn, R.' 'Mewis, A.' 'Wenzel, M.' _publ_section_title ; Ba Cu8 P4 und Ba Cu8 As4: Darstellung, Strukturbestimmung und elektronenmikroskopische Untersuchungen ; _journal_name_full 'Zeitschrift fuer Anorganische und Allgemeine Chemie' _journal_page_first 109 _journal_page_last 116 _journal_volume 588 _journal_year 1990 _chemical_formula_sum 'As4 Ba Cu8' _chemical_name_systematic 'Ba Cu8 As4' _space_group_IT_number 87 _symmetry_space_group_name_Hall '-I 4' _symmetry_space_group_name_H-M 'I 4/m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 10.455 _cell_length_b 10.455 _cell_length_c 3.969 _cell_volume 433.840 _citation_journal_id_ASTM ZAACAB _cod_data_source_file Pilchowski_ZAACAB_1990_1294.cif _cod_data_source_block As4Ba1Cu8 _cod_original_cell_volume 433.8396 _cod_chemical_formula_sum_orig 'As4 Ba1 Cu8' _cod_database_code 1541132 loop_ _symmetry_equiv_pos_as_xyz x,y,z -y,x,z -x,-y,z y,-x,z -x,-y,-z y,-x,-z x,y,-z -y,x,-z x+1/2,y+1/2,z+1/2 -y+1/2,x+1/2,z+1/2 -x+1/2,-y+1/2,z+1/2 y+1/2,-x+1/2,z+1/2 -x+1/2,-y+1/2,-z+1/2 y+1/2,-x+1/2,-z+1/2 x+1/2,y+1/2,-z+1/2 -y+1/2,x+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 Cu2 Cu+1 0.0179 0.3712 0 1 0.0 Cu1 Cu+1 0.215 0.672 0 1 0.0 Ba1 Ba+2 0 0 0 1 0.0 As1 As-3 0.242 0.4289 0 1 0.0