#------------------------------------------------------------------------------ #$Date: 2015-10-20 19:46:18 +0300 (Tue, 20 Oct 2015) $ #$Revision: 169373 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/54/01/1540175.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_1540175 loop_ _publ_author_name 'Jeitschko, W.' 'Jaberg, B.' _publ_section_title ; Lanthanoid-nickel-phosphides with ThCr2Si2-type structure ; _journal_name_full 'Journal of Solid State Chemistry' _journal_page_first 312 _journal_page_last 317 _journal_volume 35 _journal_year 1980 _chemical_formula_sum 'Nd Ni2 P2' _chemical_name_systematic 'Nd Ni2 P2' _space_group_IT_number 139 _symmetry_space_group_name_Hall '-I 4 2' _symmetry_space_group_name_H-M 'I 4/m m m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 3.942 _cell_length_b 3.942 _cell_length_c 9.461 _cell_volume 147.018 _citation_journal_id_ASTM JSSCBI _cod_data_source_file Jeitschko_JSSCBI_1980_1255.cif _cod_data_source_block Nd1Ni2P2 _cod_original_cell_volume 147.0179 _cod_chemical_formula_sum_orig 'Nd1 Ni2 P2' _cod_database_code 1540175 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,-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 -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 Nd1 Nd 0 0 0 1 0.0 P1 P 0 0 0.375 1 0.0 Ni1 Ni 0 0.5 0.25 1 0.0