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[求助]
求cif文件一個
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BaSi2O5(PDF#72-0171) Sys Orthorhombic lattice rimitiveS.G. Pcmn a = 4.63, b = 7.69, c = 13.53 |

至尊木蟲 (正式寫手)
至尊木蟲 (正式寫手)
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data_15486-ICSD #?2011 by Fachinformationszentrum Karlsruhe, and the U.S. Secretary of #Commerce on behalf of the United States. All rights reserved. _database_code_ICSD 15486 _audit_creation_date 1980/01/01 _audit_update_record 2007/08/01 _chemical_name_systematic 'Barium Phyllo-disilicate' _chemical_formula_structural 'Ba (Si2 O5)' _chemical_formula_sum 'Ba1 O5 Si2' _chemical_name_mineral Sanbornite _publ_section_title ; The crystal structure of sanbornite, Ba Si2 O5 ; loop_ _citation_id _citation_journal_abbrev _citation_year _citation_journal_volume _citation_page_first _citation_page_last _citation_journal_id_ASTM primary 'American Mineralogist' 1958 43 517 536 AMMIAY _publ_author_name 'Douglass, R.M.' _cell_length_a 4.63(1) _cell_length_b 7.69(2) _cell_length_c 13.53(2) _cell_angle_alpha 90. _cell_angle_beta 90. _cell_angle_gamma 90. _cell_volume 481.73 _cell_formula_units_Z 4 _symmetry_space_group_name_H-M 'P c m n' _symmetry_Int_Tables_number 62 _refine_ls_R_factor_all .101 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 '-x+.5, y, z+.5' 2 'x, -y+.5, z' 3 'x+.5, y+.5, -z+.5' 4 '-x, -y, -z' 5 'x+.5, -y, -z+.5' 6 '-x, y+.5, -z' 7 '-x+.5, -y+.5, z+.5' 8 'x, y, z' loop_ _atom_type_symbol _atom_type_oxidation_number Ba2+ 2 O2- -2 Si4+ 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 Ba1 Ba2+ 4 c 0.287 0.25 0.045 1. 0 Si1 Si4+ 8 d 0.363 0.05 0.317 1. 0 O1 O2- 4 c 0.48 0.25 0.348 1. 0 O2 O2- 8 d 0.146 0.06 0.22 1. 0 O3 O2- 8 d 0.228 0.97 0.416 1. 0 #End of data_15486-ICSD |


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