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求ICSD#73655的CIF文件! 已有1人參與
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求ICSD#73655的CIF文件!謝謝(Zr0.8Sn0.2)TiO4 @chinaworm 發(fā)自小木蟲Android客戶端 |
木蟲 (正式寫手)
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鏈接:https://pan.baidu.com/s/1EUSpCa0J5mdMY5DgZT7pyA 提取碼:xulj 復(fù)制這段內(nèi)容后打開百度網(wǎng)盤手機App,操作更方便哦--來自百度網(wǎng)盤超級會員V5的分享 data_73655-ICSD _database_code_ICSD 73655 _audit_creation_date 1994/06/30 _chemical_name_systematic ; Zirconium Tin Titanium Oxide (0.8/0.2/1/4) ; _chemical_formula_structural '(Zr0.8 Sn0.2 Ti) O4' _chemical_formula_sum 'O4 Sn0.2 Ti1 Zr0.8' _chemical_formula_weight 208.61 _publ_section_title 'Structural study of Zr0.8Sn0.2TiO4' loop_ _citation_id _citation_journal_abbrev _citation_year _citation_journal_volume _citation_journal_issue _citation_page_first _citation_page_last _citation_journal_id_ASTM primary 'Journal of Physics and Chemistry of Solids' 1993 54 6 671 684 JPCSAW _publ_author_name ; Kudesia, R.;Snyder, R.L.;Condrate, R.A.Sr.;McHale, A.E. ; _cell_length_a 4.7790(1) _cell_length_b 5.5297(2) _cell_length_c 5.0483(2) _cell_angle_alpha 90. _cell_angle_beta 90. _cell_angle_gamma 90. _cell_volume 133.41 _cell_formula_units_Z 2 _symmetry_space_group_name_H-M 'P b c n' _symmetry_Int_Tables_number 60 _refine_ls_R_factor_all 0.056 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, -y, z+1/2' 2 '-x+1/2, y+1/2, z' 3 'x+1/2, y+1/2, -z+1/2' 4 '-x, -y, -z' 5 '-x, y, -z+1/2' 6 'x+1/2, -y+1/2, -z' 7 '-x+1/2, -y+1/2, z+1/2' 8 'x, y, z' loop_ _atom_type_symbol _atom_type_oxidation_number O2- -2 Sn4+ 4 Ti4+ 4 Zr4+ 4 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 Zr1 Zr4+ 4 c 0 0.2803(8) 0.25 0.4 0 0.63(9) Sn1 Sn4+ 4 c 0 0.2803(8) 0.25 0.1 0 0.63(9) Ti1 Ti4+ 4 c 0 0.2803(8) 0.25 0.5 0 0.63(9) O1 O2- 8 d 0.2712(2) 0.1038(2) 0.0722(2) 1. 0 0 loop_ _atom_site_aniso_label _atom_site_aniso_type_symbol _atom_site_aniso_B_11 _atom_site_aniso_B_22 _atom_site_aniso_B_33 _atom_site_aniso_B_12 _atom_site_aniso_B_13 _atom_site_aniso_B_23 O1 O2- 1.58(5) 1.13(5) 2.02(5) 0.28(6) -.52(5) 0.59(5) #End of data_73655-ICSD |
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