#------------------------------------------------------------------------------ #$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $ #$Revision: 176729 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/00/89/1008989.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_1008989 loop_ _publ_author_name 'Roy-Montreuil, J' 'Chaudouet, P' 'Rouault, A' 'Boursier, D' 'Senateur, J O' 'Fruchart, R' _publ_section_title ; Analyse de l'ordre ddans les arseniures MM'As ; _journal_coden_ASTM ANCPAC _journal_name_full 'Annales de Chimie (Paris) (Vol=Year)' _journal_page_first 579 _journal_page_last 586 _journal_volume 9 _journal_year 1984 _chemical_formula_structural 'Ni Rh As' _chemical_formula_sum 'As Ni Rh' _chemical_name_systematic 'Nickel rhodium arsenide (1/1/1)' _space_group_IT_number 129 _symmetry_cell_setting tetragonal _symmetry_space_group_name_Hall 'P 4ab 2ab -1ab' _symmetry_space_group_name_H-M 'P 4/n m m :1' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 3.565(1) _cell_length_b 3.565 _cell_length_c 6.161(1) _cell_volume 78.3 _cod_original_sg_symbol_H-M 'P 4/n m m S' _cod_database_code 1008989 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,-y,z 1/2+x,1/2+y,-z 1/2-x,1/2-y,-z -x,y,z x,-y,z 1/2-x,1/2+y,-z 1/2+x,1/2-y,-z -y,x,-z y,-x,-z 1/2-y,1/2+x,z 1/2+y,1/2-x,z y,x,-z -y,-x,-z 1/2+y,1/2+x,z 1/2-y,1/2-x,z loop_ _atom_site_label _atom_site_type_symbol _atom_site_symmetry_multiplicity _atom_site_Wyckoff_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_attached_hydrogens _atom_site_calc_flag Ni1 Ni0 2 a 0. 0. 0. 1. 0 d Rh1 Rh0 2 c 0. 0.5 0.75 1. 0 d As1 As0 2 c 0. 0.5 0.357 1. 0 d loop_ _atom_type_symbol _atom_type_oxidation_number Ni0 0.000 Rh0 0.000 As0 0.000