#------------------------------------------------------------------------------ #$Date: 2012-02-28 14:14:52 +0200 (Tue, 28 Feb 2012) $ #$Revision: 35911 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/20/00/1200015.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_1200015 _space_group_IT_number 227 _symmetry_space_group_name_Hall 'F 4d 2 3 -1d' _symmetry_space_group_name_H-M 'F d -3 m :1' _[local]_cod_cif_authors_sg_H-M 'F d -3 m S' loop_ _publ_author_name 'SHIRASUKA, K' 'Yanagida, H' 'Yamaguchi, G' _publ_section_title ; The preparation of $-eta alumina and its structure ; _journal_coden_ASTM YGKSA4 _journal_name_full ; Yogyo Kyokai Shi (= Journal of the Ceramic Assoc. of Japan) ; _journal_page_first 610 _journal_page_last 613 _journal_volume 84 _journal_year 1976 _chemical_formula_structural 'Al2.66 O4' _chemical_formula_sum 'Al2.66 O4' _chemical_name_systematic 'Aluminium oxide - $-eta' _symmetry_cell_setting cubic _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 8 _cell_length_a 7.906 _cell_length_b 7.906 _cell_length_c 7.906 _cell_volume 494.2 _exptl_crystal_density_meas 3.66 _refine_ls_R_factor_all 0.06 loop_ _symmetry_equiv_pos_as_xyz x,y,z y,z,x z,x,y x,z,y y,x,z z,y,x x,-y,-z y,-z,-x z,-x,-y x,-z,-y y,-x,-z z,-y,-x -x,y,-z -y,z,-x -z,x,-y -x,z,-y -y,x,-z -z,y,-x -x,-y,z -y,-z,x -z,-x,y -x,-z,y -y,-x,z -z,-y,x 1/4-x,1/4-y,1/4-z 1/4-y,1/4-z,1/4-x 1/4-z,1/4-x,1/4-y 1/4-x,1/4-z,1/4-y 1/4-y,1/4-x,1/4-z 1/4-z,1/4-y,1/4-x 1/4-x,1/4+y,1/4+z 1/4-y,1/4+z,1/4+x 1/4-z,1/4+x,1/4+y 1/4-x,1/4+z,1/4+y 1/4-y,1/4+x,1/4+z 1/4-z,1/4+y,1/4+x 1/4+x,1/4-y,1/4+z 1/4+y,1/4-z,1/4+x 1/4+z,1/4-x,1/4+y 1/4+x,1/4-z,1/4+y 1/4+y,1/4-x,1/4+z 1/4+z,1/4-y,1/4+x 1/4+x,1/4+y,1/4-z 1/4+y,1/4+z,1/4-x 1/4+z,1/4+x,1/4-y 1/4+x,1/4+z,1/4-y 1/4+y,1/4+x,1/4-z 1/4+z,1/4+y,1/4-x x,1/2+y,1/2+z 1/2+x,y,1/2+z 1/2+x,1/2+y,z y,1/2+z,1/2+x 1/2+y,z,1/2+x 1/2+y,1/2+z,x z,1/2+x,1/2+y 1/2+z,x,1/2+y 1/2+z,1/2+x,y x,1/2+z,1/2+y 1/2+x,z,1/2+y 1/2+x,1/2+z,y y,1/2+x,1/2+z 1/2+y,x,1/2+z 1/2+y,1/2+x,z z,1/2+y,1/2+x 1/2+z,y,1/2+x 1/2+z,1/2+y,x x,1/2-y,1/2-z 1/2+x,-y,1/2-z 1/2+x,1/2-y,-z y,1/2-z,1/2-x 1/2+y,-z,1/2-x 1/2+y,1/2-z,-x z,1/2-x,1/2-y 1/2+z,-x,1/2-y 1/2+z,1/2-x,-y x,1/2-z,1/2-y 1/2+x,-z,1/2-y 1/2+x,1/2-z,-y y,1/2-x,1/2-z 1/2+y,-x,1/2-z 1/2+y,1/2-x,-z z,1/2-y,1/2-x 1/2+z,-y,1/2-x 1/2+z,1/2-y,-x -x,1/2+y,1/2-z 1/2-x,y,1/2-z 1/2-x,1/2+y,-z -y,1/2+z,1/2-x 1/2-y,z,1/2-x 1/2-y,1/2+z,-x -z,1/2+x,1/2-y 1/2-z,x,1/2-y 1/2-z,1/2+x,-y -x,1/2+z,1/2-y 1/2-x,z,1/2-y 1/2-x,1/2+z,-y -y,1/2+x,1/2-z 1/2-y,x,1/2-z 1/2-y,1/2+x,-z -z,1/2+y,1/2-x 1/2-z,y,1/2-x 1/2-z,1/2+y,-x -x,1/2-y,1/2+z 1/2-x,-y,1/2+z 1/2-x,1/2-y,z -y,1/2-z,1/2+x 1/2-y,-z,1/2+x 1/2-y,1/2-z,x -z,1/2-x,1/2+y 1/2-z,-x,1/2+y 1/2-z,1/2-x,y -x,1/2-z,1/2+y 1/2-x,-z,1/2+y 1/2-x,1/2-z,y -y,1/2-x,1/2+z 1/2-y,-x,1/2+z 1/2-y,1/2-x,z -z,1/2-y,1/2+x 1/2-z,-y,1/2+x 1/2-z,1/2-y,x 1/4-x,3/4-y,3/4-z 3/4-x,1/4-y,3/4-z 3/4-x,3/4-y,1/4-z 1/4-y,3/4-z,3/4-x 3/4-y,1/4-z,3/4-x 3/4-y,3/4-z,1/4-x 1/4-z,3/4-x,3/4-y 3/4-z,1/4-x,3/4-y 3/4-z,3/4-x,1/4-y 1/4-x,3/4-z,3/4-y 3/4-x,1/4-z,3/4-y 3/4-x,3/4-z,1/4-y 1/4-y,3/4-x,3/4-z 3/4-y,1/4-x,3/4-z 3/4-y,3/4-x,1/4-z 1/4-z,3/4-y,3/4-x 3/4-z,1/4-y,3/4-x 3/4-z,3/4-y,1/4-x 1/4-x,3/4+y,3/4+z 3/4-x,1/4+y,3/4+z 3/4-x,3/4+y,1/4+z 1/4-y,3/4+z,3/4+x 3/4-y,1/4+z,3/4+x 3/4-y,3/4+z,1/4+x 1/4-z,3/4+x,3/4+y 3/4-z,1/4+x,3/4+y 3/4-z,3/4+x,1/4+y 1/4-x,3/4+z,3/4+y 3/4-x,1/4+z,3/4+y 3/4-x,3/4+z,1/4+y 1/4-y,3/4+x,3/4+z 3/4-y,1/4+x,3/4+z 3/4-y,3/4+x,1/4+z 1/4-z,3/4+y,3/4+x 3/4-z,1/4+y,3/4+x 3/4-z,3/4+y,1/4+x 1/4+x,3/4-y,3/4+z 3/4+x,1/4-y,3/4+z 3/4+x,3/4-y,1/4+z 1/4+y,3/4-z,3/4+x 3/4+y,1/4-z,3/4+x 3/4+y,3/4-z,1/4+x 1/4+z,3/4-x,3/4+y 3/4+z,1/4-x,3/4+y 3/4+z,3/4-x,1/4+y 1/4+x,3/4-z,3/4+y 3/4+x,1/4-z,3/4+y 3/4+x,3/4-z,1/4+y 1/4+y,3/4-x,3/4+z 3/4+y,1/4-x,3/4+z 3/4+y,3/4-x,1/4+z 1/4+z,3/4-y,3/4+x 3/4+z,1/4-y,3/4+x 3/4+z,3/4-y,1/4+x 1/4+x,3/4+y,3/4-z 3/4+x,1/4+y,3/4-z 3/4+x,3/4+y,1/4-z 1/4+y,3/4+z,3/4-x 3/4+y,1/4+z,3/4-x 3/4+y,3/4+z,1/4-x 1/4+z,3/4+x,3/4-y 3/4+z,1/4+x,3/4-y 3/4+z,3/4+x,1/4-y 1/4+x,3/4+z,3/4-y 3/4+x,1/4+z,3/4-y 3/4+x,3/4+z,1/4-y 1/4+y,3/4+x,3/4-z 3/4+y,1/4+x,3/4-z 3/4+y,3/4+x,1/4-z 1/4+z,3/4+y,3/4-x 3/4+z,1/4+y,3/4-x 3/4+z,3/4+y,1/4-x 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 _atom_site_calc_flag O1 O2- 32 e 0.37 0.37 0.37 1. 0 d Al1 Al3+ 8 a 0.25 0.25 0.25 0.503 0 d Al2 Al3+ 48 f 0.25 0. 0. 0.083 0 d Al3 Al3+ 16 d 0.625 0.625 0.625 0.564 0 d Al4 Al3+ 16 c 0.125 0.125 0.125 0.27 0 d loop_ _atom_type_symbol _atom_type_oxidation_number O2- -2.000 Al3+ 3.000 _cod_database_code 1200015