#------------------------------------------------------------------------------ #$Date: 2015-10-14 19:37:30 +0300 (Wed, 14 Oct 2015) $ #$Revision: 168993 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/53/99/1539909.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_1539909 loop_ _publ_author_name 'Bruskov, V.A.' 'Lomnitskaya, Ya.F.' 'Kuz'ma, Yu.B.' _publ_section_title ; Crystal structure of the compound Zr2 Ni1-x P ; _journal_name_full 'Soviet Physics, Crystallography (= Kristallografiya)' _journal_page_first 199 _journal_page_last 201 _journal_volume 33 _journal_year 1988 _chemical_formula_sum 'Ni0.95 P2 Zr4' _chemical_name_systematic 'Ni0.95 Zr4 P2' _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 13.852 _cell_length_b 3.657 _cell_length_c 10.213 _cell_volume 517.358 _citation_journal_id_ASTM SPHCA6 _cod_data_source_file Bruskov_SPHCA6_1988_566.cif _cod_data_source_block Ni0.95P2Zr4 _cod_original_cell_volume 517.3575 _cod_database_code 1539909 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 Zr2 Zr 0.8981 0.25 0.5312 1 0.0 Zr4 Zr 0.6491 0.25 0.5935 1 0.0 Zr3 Zr 0.0376 0.25 0.2208 1 0.0 Ni1 Ni 0.4526 0.25 0.5262 0.76 0.0 P1 P 0.0725 0.25 0.6588 1 0.0 P2 P 0.2114 0.25 0.347 1 0.0 Ni2 Ni 0.3456 0.25 0.2233 0.19 0.0 Zr1 Zr 0.7736 0.25 0.8593 1 0.0