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#====================================================================== # CRYSTAL DATA #---------------------------------------------------------------------- data_VESTA_phase_1 _chemical_name_common 'sm_isp_SD0532193-standardized_unitcell' _cell_length_a 4.606000 _cell_length_b 4.606000 _cell_length_c 4.346000 _cell_angle_alpha 90.000000 _cell_angle_beta 90.000000 _cell_angle_gamma 120.000000 _cell_volume 79.848770 _space_group_name_H-M_alt 'P 6 3 2' _space_group_IT_number 182 loop_ _space_group_symop_operation_xyz 'x, y, z' '-y, x-y, z' '-x+y, -x, z' '-x, -y, z+1/2t' 'y, -x+y, z+1/2t' 'x-y, x, z+1/2t' 'y, x, -z' 'x-y, -y, -z' '-x, -x+y, -z' '-y, -x, -z+1/2t' '-x+y, y, -z+1/2t' 'x, x-y, -z+1/2t' 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 Co1 1.0 0.324900 0.000000 0.000000 Uiso ? Co N1 1.0 0.333333 0.666667 0.250000 Uiso ? N #====================================================================== # CRYSTAL DATA #---------------------------------------------------------------------- data_VESTA_phase_2 _chemical_name_common 'sm_isp_SD0532193-niggli_reduced_cell' _cell_length_a 4.346000 _cell_length_b 4.606000 _cell_length_c 4.606000 _cell_angle_alpha 120.000000 _cell_angle_beta 90.000000 _cell_angle_gamma 90.000000 _cell_volume 79.848770 _space_group_name_H-M_alt 'P 1' _space_group_IT_number 1 loop_ _space_group_symop_operation_xyz 'x, y, z' 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 |
2Â¥2025-06-19 04:31:42














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