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CIF file ------------------------ #(C) 2017 by FIZ Karlsruhe - Leibniz Institute for Information Infrastructure. All rights reserved. data_24174-ICSD _database_code_ICSD 24174 _audit_creation_date 1980-01-01 _audit_update_record 2003-04-01 _chemical_name_systematic 'Copper iron sulfide (5/1/4)' _chemical_formula_structural 'Cu5 Fe S4' _chemical_formula_sum 'Cu5 Fe1 S4' _chemical_name_mineral Bornite _exptl_crystal_density_diffrn 5.09 _publ_section_title 'On the symmetry and crystal structure of bornite' loop_ _citation_id _citation_journal_full _citation_year _citation_journal_volume _citation_page_first _citation_page_last _citation_journal_id_ASTM primary 'American Mineralogist' 1949 34 824 829 AMMIAY loop_ _publ_author_name 'Tunell, G.' 'Adams, C.E.' _cell_length_a 5.47 _cell_length_b 5.47 _cell_length_c 5.47 _cell_angle_alpha 90. _cell_angle_beta 90. _cell_angle_gamma 90. _cell_volume 163.67 _cell_formula_units_Z 1 _symmetry_space_group_name_H-M 'F 2 3' _symmetry_Int_Tables_number 196 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 '-z, -x, y' 2 '-y, -z, x' 3 '-x, -y, z' 4 '-z, x, -y' 5 '-y, z, -x' 6 '-x, y, -z' 7 'z, -x, -y' 8 'y, -z, -x' 9 'x, -y, -z' 10 'z, x, y' 11 'y, z, x' 12 'x, y, z' 13 '-z, -x+1/2, y+1/2' 14 '-y, -z+1/2, x+1/2' 15 '-x, -y+1/2, z+1/2' 16 '-z, x+1/2, -y+1/2' 17 '-y, z+1/2, -x+1/2' 18 '-x, y+1/2, -z+1/2' 19 'z, -x+1/2, -y+1/2' 20 'y, -z+1/2, -x+1/2' 21 'x, -y+1/2, -z+1/2' 22 'z, x+1/2, y+1/2' 23 'y, z+1/2, x+1/2' 24 'x, y+1/2, z+1/2' 25 '-z+1/2, -x, y+1/2' 26 '-y+1/2, -z, x+1/2' 27 '-x+1/2, -y, z+1/2' 28 '-z+1/2, x, -y+1/2' 29 '-y+1/2, z, -x+1/2' 30 '-x+1/2, y, -z+1/2' 31 'z+1/2, -x, -y+1/2' 32 'y+1/2, -z, -x+1/2' 33 'x+1/2, -y, -z+1/2' 34 'z+1/2, x, y+1/2' 35 'y+1/2, z, x+1/2' 36 'x+1/2, y, z+1/2' 37 '-z+1/2, -x+1/2, y' 38 '-y+1/2, -z+1/2, x' 39 '-x+1/2, -y+1/2, z' 40 '-z+1/2, x+1/2, -y' 41 '-y+1/2, z+1/2, -x' 42 '-x+1/2, y+1/2, -z' 43 'z+1/2, -x+1/2, -y' 44 'y+1/2, -z+1/2, -x' 45 'x+1/2, -y+1/2, -z' 46 'z+1/2, x+1/2, y' 47 'y+1/2, z+1/2, x' 48 'x+1/2, y+1/2, z' loop_ _atom_type_symbol _atom_type_oxidation_number Cu0+ 0 Fe0+ 0 S0+ 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_B_iso_or_equiv _atom_site_occupancy _atom_site_attached_hydrogens Cu1 Cu0+ 4 c 0.25 0.25 0.25 . 0.833 0 Cu2 Cu0+ 4 d 0.75 0.75 0.75 . 0.417 0 Fe1 Fe0+ 4 c 0.25 0.25 0.25 . 0.167 0 Fe2 Fe0+ 4 d 0.75 0.75 0.75 . 0.083 0 S1 S0+ 4 a 0 0 0 . 1. 0 #End of TTdata_24174-ICSD ------------------------------------ ×Ô¼ºÓþ§ÌåÈí¼þ×÷ͼ |

4Â¥2017-08-31 16:36:40
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2Â¥2017-08-31 12:48:43
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3Â¥2017-08-31 15:15:51
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5Â¥2017-09-06 14:16:19















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