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cxn253800木虫 (著名写手)
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[交流]
求助Bi的晶体结构信息
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Pearson symbol Space group Srtuk designation Prototype αBi hR2 R3m A7 αAs |
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chendy6822
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2楼2009-08-03 16:59:46
w6y8d0
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cxn253800(金币+1):谢谢参与
cxn253800(金币+14,VIP+0):thank you very much~ 8-3 18:12
cxn253800(金币+1):谢谢参与
cxn253800(金币+14,VIP+0):thank you very much~ 8-3 18:12
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data_64705-ICSD _database_code_ICSD 64705 _audit_creation_date 1997-11-10 _chemical_name_systematic 'Bismuth' _chemical_formula_structural 'Bi' _chemical_formula_sum 'Bi1' _publ_section_title 'Bi1' loop_ _citation_id _citation_journal_abbrev _citation_year _citation_journal_volume _citation_page_first _citation_page_last _citation_journal_id_ASTM primary 'Journal of Applied Crystallography' 1969 2 30 36 JACGAR loop_ _publ_author_name Cucka, P.;Barrett, C.S. _cell_length_a 4.533(3) _cell_length_b 4.533(3) _cell_length_c 11.797(6) _cell_angle_alpha 90. _cell_angle_beta 90. _cell_angle_gamma 120. _cell_volume 209.9307 _cell_formula_units_Z 6.000 _symmetry_space_group_name_H-M 'R -3 m' _symmetry_Int_Tables_number 166 _refine_ls_R_factor_all 0.0136 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x-y, -y, -z' 2 '-x, -x+y, -z' 3 'y, x, -z' 4 'x-y, x, -z' 5 'y, -x+y, -z' 6 '-x, -y, -z' 7 '-x+y, y, z' 8 'x, x-y, z' 9 '-y, -x, z' 10 '-x+y, -x, z' 11 '-y, x-y, z' 12 'x, y, z' 13 'x-y+2/3, -y+1/3, -z+1/3' 14 '-x+2/3, -x+y+1/3, -z+1/3' 15 'y+2/3, x+1/3, -z+1/3' 16 'x-y+2/3, x+1/3, -z+1/3' 17 'y+2/3, -x+y+1/3, -z+1/3' 18 '-x+2/3, -y+1/3, -z+1/3' 19 '-x+y+2/3, y+1/3, z+1/3' 20 'x+2/3, x-y+1/3, z+1/3' 21 '-y+2/3, -x+1/3, z+1/3' 22 '-x+y+2/3, -x+1/3, z+1/3' 23 '-y+2/3, x-y+1/3, z+1/3' 24 'x+2/3, y+1/3, z+1/3' 25 'x-y+1/3, -y+2/3, -z+2/3' 26 '-x+1/3, -x+y+2/3, -z+2/3' 27 'y+1/3, x+2/3, -z+2/3' 28 'x-y+1/3, x+2/3, -z+2/3' 29 'y+1/3, -x+y+2/3, -z+2/3' 30 '-x+1/3, -y+2/3, -z+2/3' 31 '-x+y+1/3, y+2/3, z+2/3' 32 'x+1/3, x-y+2/3, z+2/3' 33 '-y+1/3, -x+2/3, z+2/3' 34 '-x+y+1/3, -x+2/3, z+2/3' 35 '-y+1/3, x-y+2/3, z+2/3' 36 'x+1/3, y+2/3, z+2/3' loop_ _atom_type_symbol _atom_type_oxidation_number Bi0+ 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 Bi1 Bi0+ 6 c 0 0 0.23407(2) 0.093 1. #End of data_64705-ICSD |
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