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TYHZDY新虫 (初入文坛)
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[求助]
求大佬救救我 已有1人参与
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求ICSD 64703 的cif文件，是纯Bi金属的，我的数据库里没有 发自小木虫IOS客户端 |
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4楼2020-12-01 21:52:57
秽土阿飞
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2楼2020-08-04 17:42:46
星火abcd
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#(C) 2020 by FIZ Karlsruhe - Leibniz Institute for Information Infrastructure. All rights reserved. data_64703-ICSD _database_code_ICSD 64703 _audit_creation_date 1997-11-10 _audit_update_record 2006-04-01 _chemical_name_common Bismuth _chemical_formula_structural Bi _chemical_formula_sum Bi1 _chemical_name_structure_type As _chemical_name_mineral Bismuth _exptl_crystal_density_diffrn 9.81 _diffrn_ambient_temperature 298. _citation_title 'The crystal structure of Bi and of solid solutions of Pb, Sn, Sb and Te in Bi' loop_ _citation_id _citation_journal_full _citation_year _citation_journal_volume _citation_page_first _citation_page_last _citation_journal_id_ASTM primary 'Acta Crystallographica' 1962 15 865 872 ACCRA9 loop_ _citation_author_citation_id _citation_author_name primary 'Cucka, P.' primary 'Barrett, C.S.' _cell_length_a 4.546(2) _cell_length_b 4.546(2) _cell_length_c 11.862(6) _cell_angle_alpha 90. _cell_angle_beta 90. _cell_angle_gamma 120. _cell_volume 212.3 _cell_formula_units_Z 6 _space_group_name_H-M_alt 'R -3 m H' _space_group_IT_number 166 loop_ _space_group_symop_id _space_group_symop_operation_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 0.23389(2) 1.114(26) 1. #End of TTdata_64703-ICSD |
3楼2020-08-04 20:57:36
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