#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/52/13/1521384.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_1521384 loop_ _publ_author_name 'Keimes, V.' 'Blume, H.M.' 'Mewis, A.' _publ_section_title ; Darstellung und Kristallstruktur von A Ni10 P3 (A: Zn, Ga, Sn, Sb) ; _journal_name_full 'Zeitschrift fuer Anorganische und Allgemeine Chemie' _journal_page_first 207 _journal_page_last 210 _journal_volume 625 _journal_year 1999 _chemical_formula_sum 'Ni10 P3 Sn' _chemical_name_systematic 'Sn Ni10 P3' _space_group_IT_number 164 _symmetry_space_group_name_Hall '-P 3 2"' _symmetry_space_group_name_H-M 'P -3 m 1' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_formula_units_Z 3 _cell_length_a 7.674 _cell_length_b 7.674 _cell_length_c 9.621 _cell_volume 490.676 _citation_journal_id_ASTM ZAACAB _cod_data_source_file Keimes_ZAACAB_1999_848.cif _cod_data_source_block Ni10P3Sn1 _cod_original_cell_volume 490.6756 _cod_original_formula_sum 'Ni10 P3 Sn1' _cod_database_code 1521384 loop_ _symmetry_equiv_pos_as_xyz x,y,z -y,x-y,z -x+y,-x,z y,x,-z -x,-x+y,-z x-y,-y,-z -x,-y,-z y,-x+y,-z x-y,x,-z -y,-x,z x,x-y,z -x+y,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 Sn2 Sn 0.3333 0.6667 0.6391 1 0.0 Ni6 Ni 0.1383 0.8617 0.8013 1 0.0 Ni4 Ni 0.3382 0 0.5 1 0.0 Ni1 Ni 0.3333 0.6667 0.3847 1 0.0 Ni3 Ni 0 0 0.3805 1 0.0 Ni7 Ni 0.4912 0.5088 0.2407 1 0.0 Ni5 Ni 0.1886 0.8114 0.0719 1 0.0 P1 P 0.5 0 0 1 0.0 Sn1 Sn 0 0 0 1 0.0 Ni2 Ni 0.3333 0.6667 0.9026 1 0.0 P2 P 0.1647 0.8353 0.3087 1 0.0