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mimeng銀蟲 (正式寫手)
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[交流]
【求助】求cif文件 已有4人參與
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| 在線急等,H2Ti3O7, Na2Ti6O13 和Na2Ti3O7的cif文件 |
捐助貴賓 (正式寫手)
捐助貴賓 (正式寫手)
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#### CIF created by Crystallographica 2 #### data_DihydrogenTrititanate _audit_creation_method 'Crystallographica 2' _cell_angle_alpha 90 _cell_angle_beta 101.46 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 35.466 _cell_length_b 3.7568 _cell_length_c 9.759 _cell_volume 1274.35 _cgraph_comments 'Structure of nanosized materials by high-energy X-ray diffraction: study of titanate nanotubes ' _cgraph_title 'Dihydrogen Trititanate' _chemical_formula_sum 'H2 Ti3 O7' _symmetry_space_group_name_H-M 'C 2/m' _symmetry_space_group_name_Hall '-C 2y' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' 'x+1/2, y+1/2, z' '-x, -y, -z' '-x+1/2, -y+1/2, -z' '-x, y, -z' '-x+1/2, y+1/2, -z' 'x, -y, z' 'x+1/2, -y+1/2, z' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_thermal_displace_type _atom_site_occupancy Ti1 Ti4+ 0.2339 0 0.2198 0 Uiso 1 Ti2 Ti4+ 0.2183 0 0.5438 0 Uiso 1 Ti3 Ti4+ 0.1989 0 0.8467 0 Uiso 1 O1 O2- 0.2094 0 0.043 0 Uiso 1 O2 O2- 0.1949 0 0.3257 0 Uiso 1 O3 O2- 0.173 0 0.6256 0 Uiso 1 O4 O2- 0.1337 0 0.8696 0 Uiso 1 O5 O2- 0.2858 0 0.1289 0 Uiso 1 O6 O2- 0.2602 0 0.4164 0 Uiso 1 O7 O2- 0.2412 0 0.744 0 Uiso 1 _eof #### End of Crystallographic Information File #### |
捐助貴賓 (正式寫手)
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#### CIF created by Crystallographica 2 #### data_DisodiumHexatitanate _audit_creation_method 'Crystallographica 2' _cell_angle_alpha 90 _cell_angle_beta 99.01 _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 15.095 _cell_length_b 3.745 _cell_length_c 9.174 _cell_volume 512.214 _cgraph_comments 'Rietveld refinement of sol-gel Na2 Ti6 O13 and its photocatalytic performance on the degradation of methylene blue ' _cgraph_title 'Disodium Hexatitanate' _chemical_formula_sum 'Na2 (Ti6 O13)' _symmetry_space_group_name_H-M 'C 2/m' _symmetry_space_group_name_Hall '-C 2y' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' 'x+1/2, y+1/2, z' '-x, -y, -z' '-x+1/2, -y+1/2, -z' '-x, y, -z' '-x+1/2, y+1/2, -z' 'x, -y, z' 'x+1/2, -y+1/2, z' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_thermal_displace_type _atom_site_occupancy Na1 Na1+ 0.46102 0 0.26595 0 Uiso 1 Ti1 Ti4+ 0.11311 0 0.0974 0 Uiso 1 Ti2 Ti4+ 0.16716 0 0.4374 0 Uiso 1 Ti3 Ti4+ 0.22689 0 0.77019 0 Uiso 1 O1 O2- 0 0 0 0 Uiso 1 O2 O2- 0.23769 0 0.24064 0 Uiso 1 O3 O2- 0.0702 0 0.29497 0 Uiso 1 O4 O2- 0.30113 0 0.57074 0 Uiso 1 O5 O2- 0.12873 0 0.61793 0 Uiso 1 O6 O2- 0.35786 0 0.88499 0 Uiso 1 O7 O2- 0.16904 0 0.91716 0 Uiso 1 _eof #### End of Crystallographic Information File #### |
捐助貴賓 (正式寫手)
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#### CIF created by Crystallographica 2 #### data_DisodiumHexatitanate _audit_creation_method 'Crystallographica 2' _cell_angle_alpha 90 _cell_angle_beta 99.01 _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 15.095 _cell_length_b 3.745 _cell_length_c 9.174 _cell_volume 512.214 _cgraph_comments 'Rietveld refinement of sol-gel Na2 Ti6 O13 and its photocatalytic performance on the degradation of methylene blue ' _cgraph_title 'Disodium Hexatitanate' _chemical_formula_sum 'Na2 (Ti6 O13)' _symmetry_space_group_name_H-M 'C 2/m' _symmetry_space_group_name_Hall '-C 2y' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' 'x+1/2, y+1/2, z' '-x, -y, -z' '-x+1/2, -y+1/2, -z' '-x, y, -z' '-x+1/2, y+1/2, -z' 'x, -y, z' 'x+1/2, -y+1/2, z' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_thermal_displace_type _atom_site_occupancy Na1 Na1+ 0.46102 0 0.26595 0 Uiso 1 Ti1 Ti4+ 0.11311 0 0.0974 0 Uiso 1 Ti2 Ti4+ 0.16716 0 0.4374 0 Uiso 1 Ti3 Ti4+ 0.22689 0 0.77019 0 Uiso 1 O1 O2- 0 0 0 0 Uiso 1 O2 O2- 0.23769 0 0.24064 0 Uiso 1 O3 O2- 0.0702 0 0.29497 0 Uiso 1 O4 O2- 0.30113 0 0.57074 0 Uiso 1 O5 O2- 0.12873 0 0.61793 0 Uiso 1 O6 O2- 0.35786 0 0.88499 0 Uiso 1 O7 O2- 0.16904 0 0.91716 0 Uiso 1 _eof #### End of Crystallographic Information File #### |
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