#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/01/04/1010473.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_1010473 loop_ _publ_author_name 'Fylking, K E' _publ_section_title ; Phosphides and Arsenides with modified Nickel-Arsenide Structure ; _journal_coden_ASTM ARKGBK _journal_issue 48 _journal_name_full 'Arkiv foer Kemi, Mineralogi och Geologi, B' _journal_page_first 1 _journal_page_last 6 _journal_volume 11 _journal_year 1934 _chemical_formula_structural 'Mn P' _chemical_formula_sum 'Mn P' _chemical_name_systematic 'Manganese phosphide (1/1)' _space_group_IT_number 62 _symmetry_cell_setting orthorhombic _symmetry_Int_Tables_number 62 _symmetry_space_group_name_Hall '-P 2c 2ab' _symmetry_space_group_name_H-M 'P b n m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 5.905 _cell_length_b 5.249 _cell_length_c 3.167 _cell_volume 98.2 _exptl_crystal_density_meas 5.5 _cod_database_code 1010473 loop_ _symmetry_equiv_pos_as_xyz x,y,z 1/2-x,1/2+y,1/2-z -x,-y,1/2+z 1/2+x,1/2-y,-z -x,-y,-z 1/2+x,1/2-y,1/2+z x,y,1/2-z 1/2-x,1/2+y,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 Mn1 Mn0 4 c 0.2 0.005 0.25 1. 0 d P1 P0 4 c 0.57 0.19 0.25 1. 0 d loop_ _atom_type_symbol _atom_type_oxidation_number Mn0 0.000 P0 0.000