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求助icsd数据库里氧化银的CIF文件，谢谢！
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众版友好： 那位版友有ICSD数据库的，请帮忙提供一下氧化银的CIF文件，非常感谢！ |
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2楼2009-11-17 22:05:55
xi2004
至尊木虫 (职业作家)
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eeqeeq0002(金币+1,VIP+0):谢谢 参与 11-18 09:23
zixy(金币+20,VIP+0):非常感谢xi2004老师的热心，这几个我都要，我想和我一个特殊的有机自组装里的银氧结构比较一下，谢谢！ 11-18 14:19
eeqeeq0002(金币+1,VIP+0):谢谢 参与 11-18 09:23
zixy(金币+20,VIP+0):非常感谢xi2004老师的热心，这几个我都要，我想和我一个特殊的有机自组装里的银氧结构比较一下，谢谢！ 11-18 14:19
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有好几个呢, 你要哪个? 给你一个 data_27659-ICSD #?2009 by Fachinformationszentrum Karlsruhe, and the U.S. Secretary of #Commerce on behalf of the United States. All rights reserved. _database_code_ICSD 27659 _audit_creation_date 1986/09/23 _audit_update_record 2008/02/01 _chemical_name_systematic 'Silver(II) Oxide' _chemical_formula_structural 'Ag O' _chemical_formula_sum 'Ag1 O1' _publ_section_title ; Magnetic properties and crystalline structure of Ag O ; loop_ _citation_id _citation_journal_abbrev _citation_year _citation_journal_volume _citation_page_first _citation_page_last _citation_journal_id_ASTM primary 'Journal of Inorganic and Nuclear Chemistry' 1960 13 28 31 JINCAO _publ_author_name 'McMillan, J.A.' _cell_length_a 5.85 _cell_length_b 3.48 _cell_length_c 5.5 _cell_angle_alpha 90. _cell_angle_beta 107.5 _cell_angle_gamma 90. _cell_volume 106.79 _cell_formula_units_Z 4 _symmetry_space_group_name_H-M 'P 1 21/c 1' _symmetry_Int_Tables_number 14 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, -y+.5, z+.5' 2 '-x, -y, -z' 3 '-x, y+.5, -z+.5' 4 'x, y, z' loop_ _atom_type_symbol _atom_type_oxidation_number Ag2+ 2 O2- -2 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 Ag1 Ag2+ 2 a 0 0 0 1. 0 Ag2 Ag2+ 2 d 0.5 0 0.5 1. 0 O1 O2- 4 e 0.75 0.25 0.25 1. 0 #End of data_27659-ICSD data_35540-ICSD #?2009 by Fachinformationszentrum Karlsruhe, and the U.S. Secretary of #Commerce on behalf of the United States. All rights reserved. _database_code_ICSD 35540 _audit_creation_date 1980/01/01 _audit_update_record 2005/10/01 _chemical_name_systematic 'Silver Oxide' _chemical_formula_structural 'Ag2 O' _chemical_formula_sum 'Ag2 O1' _publ_section_title ; The crystal structure of silver oxide (Ag2 O) ; loop_ _citation_id _citation_journal_abbrev _citation_year _citation_journal_volume _citation_page_first _citation_page_last _citation_journal_id_ASTM primary 'American Journal of Science, Serie 5(1,1921-1938)' 1922 3 184 188 AJSC5L _publ_author_name 'Wyckoff, R.W.G.' _cell_length_a 4.76 _cell_length_b 4.76 _cell_length_c 4.76 _cell_angle_alpha 90. _cell_angle_beta 90. _cell_angle_gamma 90. _cell_volume 107.85 _cell_formula_units_Z 2 _symmetry_space_group_name_H-M 'P n -3 m S' _symmetry_Int_Tables_number 224 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'y+.5, x+.5, -z+.5' 2 'z+.5, x+.5, -y+.5' 3 'z+.5, y+.5, -x+.5' 4 'y+.5, z+.5, -x+.5' 5 'x+.5, z+.5, -y+.5' 6 'x+.5, y+.5, -z+.5' 7 'y+.5, -x+.5, z+.5' 8 'z+.5, -x+.5, y+.5' 9 'z+.5, -y+.5, x+.5' 10 'y+.5, -z+.5, x+.5' 11 'x+.5, -z+.5, y+.5' 12 'x+.5, -y+.5, z+.5' 13 '-y+.5, x+.5, z+.5' 14 '-z+.5, x+.5, y+.5' 15 '-z+.5, y+.5, x+.5' 16 '-y+.5, z+.5, x+.5' 17 '-x+.5, z+.5, y+.5' 18 '-x+.5, y+.5, z+.5' 19 '-y+.5, -x+.5, -z+.5' 20 '-z+.5, -x+.5, -y+.5' 21 '-z+.5, -y+.5, -x+.5' 22 '-y+.5, -z+.5, -x+.5' 23 '-x+.5, -z+.5, -y+.5' 24 '-x+.5, -y+.5, -z+.5' 25 '-y, -x, z' 26 '-z, -x, y' 27 '-z, -y, x' 28 '-y, -z, x' 29 '-x, -z, y' 30 '-x, -y, z' 31 '-y, x, -z' 32 '-z, x, -y' 33 '-z, y, -x' 34 '-y, z, -x' 35 '-x, z, -y' 36 '-x, y, -z' 37 'y, -x, -z' 38 'z, -x, -y' 39 'z, -y, -x' 40 'y, -z, -x' 41 'x, -z, -y' 42 'x, -y, -z' 43 'y, x, z' 44 'z, x, y' 45 'z, y, x' 46 'y, z, x' 47 'x, z, y' 48 'x, y, z' loop_ _atom_type_symbol _atom_type_oxidation_number Ag1+ 1 O2- -2 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 O1 O2- 2 a 0 0 0 1. 0 Ag1 Ag1+ 4 b 0.25 0.25 0.25 1. 0 #End of data_35540-ICSD |
3楼2009-11-17 23:05:57
4楼2009-11-18 14:21:31
xi2004
至尊木虫 (职业作家)
- CMEI: 10
- 应助: 125 (高中生)
- 金币: 16769.9
- 散金: 12393
- 红花: 221
- 帖子: 4161
- 在线: 436.9小时
- 虫号: 354550
- 注册: 2007-04-24
- 专业: 结构化学
5楼2009-11-18 22:41:19