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data_43365-ICSD _database_code_ICSD 43365 _audit_creation_date 2000/07/15 _audit_update_record 2010/02/01 _chemical_name_systematic 'Iron Phosphide (3/1) - Epsilon' _chemical_formula_structural 'Fe3 P' _chemical_formula_sum 'Fe3 P1' _publ_section_title ; X-ray investigations of the ternary system Fe-B-P. ; loop_ _citation_id _citation_journal_abbrev _citation_year _citation_journal_volume _citation_page_first _citation_page_last _citation_journal_id_ASTM primary 'Acta Chemica Scandinavica (1-27,1973-42,1988)' 1962 16 1 19 ACSAA4 _publ_author_name 'Rundqvist, S.' _cell_length_a 9.107(2) _cell_length_b 9.107 _cell_length_c 4.460(1) _cell_angle_alpha 90. _cell_angle_beta 90. _cell_angle_gamma 90. _cell_volume 369.9 _cell_formula_units_Z 8 _symmetry_space_group_name_H-M 'I -4' _symmetry_Int_Tables_number 82 _refine_ls_R_factor_all .058 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 '-y, x, -z' 2 'y, -x, -z' 3 '-x, -y, z' 4 'x, y, z' 5 '-y+.5, x+.5, -z+.5' 6 'y+.5, -x+.5, -z+.5' 7 '-x+.5, -y+.5, z+.5' 8 'x+.5, y+.5, z+.5' loop_ _atom_type_symbol _atom_type_oxidation_number Fe0+ 0 P0+ 0 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_B_iso_or_equiv Fe1 Fe0+ 8 g 0.0793(2) 0.1059(2) 0.2338(8) 1. 0 0.39 Fe2 Fe0+ 8 g 0.3605(2) 0.0310(2) 0.9860(8) 1. 0 0.39 Fe3 Fe0+ 8 g 0.1717(2) 0.2195(2) 0.7548(8) 1. 0 0.39 P1 P0+ 8 g 0.2921(4) 0.0454(4) 0.4903(14) 1. 0 0.39 #End of data_43365-ICSD |

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