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[求助]
寻求BaCo0.85In0.15O2.5的cif已有1人参与
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寻求BaCo0.85In0.15O2.5的cif文件 |
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Copy the following text into Notepad and save it as BaCo0.85In0.15O2.5.cif Then you can view the structure in VESTA #====================================================================== # CRYSTAL DATA #---------------------------------------------------------------------- data_VESTA_phase_1 _chemical_name_common 'Ba Co0.85 In0.15 O2.5' _cell_length_a 4.132000 _cell_length_b 4.132000 _cell_length_c 4.132000 _cell_angle_alpha 90.000000 _cell_angle_beta 90.000000 _cell_angle_gamma 90.000000 _cell_volume 70.547386 _space_group_name_H-M_alt 'P m -3 m' _space_group_IT_number 221 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, -y, -z' '-x, -y, z' 'x, y, -z' '-x, y, -z' 'x, -y, z' 'x, -y, -z' '-x, y, z' 'z, x, y' '-z, -x, -y' 'z, -x, -y' '-z, x, y' '-z, -x, y' 'z, x, -y' '-z, x, -y' 'z, -x, y' 'y, z, x' '-y, -z, -x' '-y, z, -x' 'y, -z, x' 'y, -z, -x' '-y, z, x' '-y, -z, x' 'y, z, -x' 'y, x, -z' '-y, -x, z' '-y, -x, -z' 'y, x, z' 'y, -x, z' '-y, x, -z' '-y, x, z' 'y, -x, -z' 'x, z, -y' '-x, -z, y' '-x, z, y' 'x, -z, -y' '-x, -z, -y' 'x, z, y' 'x, -z, y' '-x, z, -y' 'z, y, -x' '-z, -y, x' 'z, -y, x' '-z, y, -x' '-z, y, x' 'z, -y, -x' '-z, -y, -x' 'z, y, x' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_adp_type _atom_site_U_iso_or_equiv _atom_site_type_symbol O1 0.8330 0.500000 0.500000 0.000000 Uiso ? O Co 0.8500 0.500000 0.500000 0.500000 Uiso ? Co Ba1 1.0 0.000000 0.000000 0.000000 Uiso ? Ba In1 0.1500 0.500000 0.500000 0.500000 Uiso ? In |
2楼2025-08-23 06:43:04