#------------------------------------------------------------------------------ #$Date: 2017-11-19 02:57:24 +0000 (Sun, 19 Nov 2017) $ #$Revision: 203331 $ #$URL: svn://www.crystallography.net/cod/cif/5/91/00/5910000.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_5910000 loop_ _publ_author_name 'Wyckoff, R. W. G.' _publ_section_title ; Pages 55 & 61 from the second edition supplement of The Structure of Crystals by Wyckoff R W G. published by Reinhold Publishing Corporation, INC,Camden,N. J. in 1935 ; _journal_name_full 'The second edition supplement of The Structure of Crystals' _journal_page_first 55 _journal_page_last 61 _journal_year 1935 _chemical_formula_structural MgTiO3 _chemical_formula_sum 'Mg O3 Ti' _chemical_name_systematic 'Magnesium titanate' _space_group_crystal_system trigonal _space_group_IT_number 148 _space_group_name_Hall '-P 3*' _space_group_name_H-M_alt 'R -3 :R' _audit_creation_date 2005-06-11 _audit_creation_method ; Pages 55 & 61 from the second edition supplement of The Structure of Crystals by Wyckoff R W G. published by Reinhold Publishing Corporation, INC,Camden,N. J. in 1935 ; _audit_update_record 'created by Girish Upreti, Portland State University' _cell_angle_alpha 54.65 _cell_angle_beta 54.65 _cell_angle_gamma 54.65 _cell_length_a 5.54 _cell_length_b 5.54 _cell_length_c 5.54 _cell_volume 104.499 _cod_depositor_comments ; Adding the symmetry operation list, removing symmetrically equivalent atoms, correcting the values of _cell_angle_alpha, _cell_angle_beta and _cell_angle_gamma data items by changing them from '54.39' to '54.65' after consulting the original publication. Antanas Vaitkus, 2017-11-19 ; _cod_original_sg_symbol_H-M 'R -3' _cod_original_formula_sum 'Mg Ti O3' _cod_database_code 5910000 loop_ _space_group_symop_id _space_group_symop_operation_xyz 1 x,y,z 2 z,x,y 3 y,z,x 4 -x,-y,-z 5 -z,-x,-y 6 -y,-z,-x loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Mg Mg 0.35800 0.35800 0.35800 Ti Ti 0.14200 0.14200 0.14200 O O 0.55500 -0.05500 0.25000