#------------------------------------------------------------------------------ #$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $ #$Revision: 966 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/9005295.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_9005295 _space_group_IT_number 227 _symmetry_space_group_name_Hall '-F 4vw 2vw 3' _symmetry_space_group_name_H-M 'F d -3 m :2' _[local]_cod_cif_authors_sg_H-M 'F d 3 m' loop_ _publ_author_name 'Lucchesi S' 'Russo U' 'Della Giusta A' _publ_section_title ; Crystal chemistry and cation distribution in some Mn-rich natural and synthetic spinels Sample: FRK1b ; _journal_name_full 'European Journal of Mineralogy' _journal_page_first 31 _journal_page_last 42 _journal_volume 9 _journal_year 1997 _chemical_formula_sum 'Al0.057 Fe2.266 Mg0.019 Mn0.339 O4 Ti0.025 Zn0.298' _[local]_cod_chemical_formula_sum_orig 'Mn.339 Fe2.266 Zn.298 Mg.019 Al.057 Ti.025 O4' _chemical_name_mineral Franklinite _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_length_a 8.4576 _cell_length_b 8.4576 _cell_length_c 8.4576 _cell_volume 604.980 loop_ _symmetry_equiv_pos_as_xyz x,y,z x,1/2+y,1/2+z 1/2+x,y,1/2+z 1/2+x,1/2+y,z 3/4+z,1/2-x,1/4+y 3/4+z,-x,3/4+y 1/4+z,1/2-x,3/4+y 1/4+z,-x,1/4+y 3/4-y,1/2+z,1/4-x 3/4-y,+z,3/4-x 1/4-y,1/2+z,3/4-x 1/4-y,+z,1/4-x 3/4+x,1/2-y,1/4+z 3/4+x,-y,3/4+z 1/4+x,1/2-y,3/4+z 1/4+x,-y,1/4+z 3/4-z,1/2+x,1/4-y 3/4-z,+x,3/4-y 1/4-z,1/2+x,3/4-y 1/4-z,+x,1/4-y 3/4+y,1/2-z,1/4+x 3/4+y,-z,3/4+x 1/4+y,1/2-z,3/4+x 1/4+y,-z,1/4+x 3/4-x,1/2+y,1/4-z 3/4-x,+y,3/4-z 1/4-x,1/2+y,3/4-z 1/4-x,+y,1/4-z 1/2+x,3/4-z,1/4-y 1/2+x,1/4-z,3/4-y +x,3/4-z,3/4-y +x,1/4-z,1/4-y 1/2-z,3/4+y,1/4+x 1/2-z,1/4+y,3/4+x -z,3/4+y,3/4+x -z,1/4+y,1/4+x 1/2+y,3/4-x,1/4-z 1/2+y,1/4-x,3/4-z +y,3/4-x,3/4-z +y,1/4-x,1/4-z 1/2-x,3/4+z,1/4+y 1/2-x,1/4+z,3/4+y -x,3/4+z,3/4+y -x,1/4+z,1/4+y 1/2+z,3/4-y,1/4-x 1/2+z,1/4-y,3/4-x +z,3/4-y,3/4-x +z,1/4-y,1/4-x 1/2-y,3/4+x,1/4+z 1/2-y,1/4+x,3/4+z -y,3/4+x,3/4+z -y,1/4+x,1/4+z x,1/2+z,1/2+y x,+z,+y 1/2+x,1/2+z,+y 1/2+x,+z,1/2+y -z,1/2-y,1/2-x -z,-y,-x 1/2-z,1/2-y,-x 1/2-z,-y,1/2-x y,1/2+x,1/2+z y,+x,+z 1/2+y,1/2+x,+z 1/2+y,+x,1/2+z -x,1/2-z,1/2-y -x,-z,-y 1/2-x,1/2-z,-y 1/2-x,-z,1/2-y z,1/2+y,1/2+x z,+y,+x 1/2+z,1/2+y,+x 1/2+z,+y,1/2+x -y,1/2-x,1/2-z -y,-x,-z 1/2-y,1/2-x,-z 1/2-y,-x,1/2-z 3/4+z,1/4+x,1/2-y 3/4+z,3/4+x,-y 1/4+z,1/4+x,-y 1/4+z,3/4+x,1/2-y 3/4-y,1/4-z,1/2+x 3/4-y,3/4-z,+x 1/4-y,1/4-z,+x 1/4-y,3/4-z,1/2+x 3/4+x,1/4+y,1/2-z 3/4+x,3/4+y,-z 1/4+x,1/4+y,-z 1/4+x,3/4+y,1/2-z 3/4-z,1/4-x,1/2+y 3/4-z,3/4-x,+y 1/4-z,1/4-x,+y 1/4-z,3/4-x,1/2+y 3/4+y,1/4+z,1/2-x 3/4+y,3/4+z,-x 1/4+y,1/4+z,-x 1/4+y,3/4+z,1/2-x 3/4-x,1/4-y,1/2+z 3/4-x,3/4-y,+z 1/4-x,1/4-y,+z 1/4-x,3/4-y,1/2+z -z,3/4+x,3/4+y -z,1/4+x,1/4+y 1/2-z,3/4+x,1/4+y 1/2-z,1/4+x,3/4+y y,3/4-z,3/4-x y,1/4-z,1/4-x 1/2+y,3/4-z,1/4-x 1/2+y,1/4-z,3/4-x -x,3/4+y,3/4+z -x,1/4+y,1/4+z 1/2-x,3/4+y,1/4+z 1/2-x,1/4+y,3/4+z z,3/4-x,3/4-y z,1/4-x,1/4-y 1/2+z,3/4-x,1/4-y 1/2+z,1/4-x,3/4-y -y,3/4+z,3/4+x -y,1/4+z,1/4+x 1/2-y,3/4+z,1/4+x 1/2-y,1/4+z,3/4+x x,3/4-y,3/4-z x,1/4-y,1/4-z 1/2+x,3/4-y,1/4-z 1/2+x,1/4-y,3/4-z 1/4-x,1/2+z,3/4-y 1/4-x,+z,1/4-y 3/4-x,1/2+z,1/4-y 3/4-x,+z,3/4-y 1/4+z,1/2-y,3/4+x 1/4+z,-y,1/4+x 3/4+z,1/2-y,1/4+x 3/4+z,-y,3/4+x 1/4-y,1/2+x,3/4-z 1/4-y,+x,1/4-z 3/4-y,1/2+x,1/4-z 3/4-y,+x,3/4-z 1/4+x,1/2-z,3/4+y 1/4+x,-z,1/4+y 3/4+x,1/2-z,1/4+y 3/4+x,-z,3/4+y 1/4-z,1/2+y,3/4-x 1/4-z,+y,1/4-x 3/4-z,1/2+y,1/4-x 3/4-z,+y,3/4-x 1/4+y,1/2-x,3/4+z 1/4+y,-x,1/4+z 3/4+y,1/2-x,1/4+z 3/4+y,-x,3/4+z 3/4-x,3/4-z,y 3/4-x,1/4-z,1/2+y 1/4-x,3/4-z,1/2+y 1/4-x,1/4-z,y 3/4+z,3/4+y,-x 3/4+z,1/4+y,1/2-x 1/4+z,3/4+y,1/2-x 1/4+z,1/4+y,-x 3/4-y,3/4-x,z 3/4-y,1/4-x,1/2+z 1/4-y,3/4-x,1/2+z 1/4-y,1/4-x,z 3/4+x,3/4+z,-y 3/4+x,1/4+z,1/2-y 1/4+x,3/4+z,1/2-y 1/4+x,1/4+z,-y 3/4-z,3/4-y,x 3/4-z,1/4-y,1/2+x 1/4-z,3/4-y,1/2+x 1/4-z,1/4-y,x 3/4+y,3/4+x,-z 3/4+y,1/4+x,1/2-z 1/4+y,3/4+x,1/2-z 1/4+y,1/4+x,-z -z,-x,-y -z,1/2-x,1/2-y 1/2-z,-x,1/2-y 1/2-z,1/2-x,-y y,z,x y,1/2+z,1/2+x 1/2+y,z,1/2+x 1/2+y,1/2+z,x -x,-y,-z -x,1/2-y,1/2-z 1/2-x,-y,1/2-z 1/2-x,1/2-y,-z z,x,y z,1/2+x,1/2+y 1/2+z,x,1/2+y 1/2+z,1/2+x,y -y,-z,-x -y,1/2-z,1/2-x 1/2-y,-z,1/2-x 1/2-y,1/2-z,-x loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_U_iso_or_equiv MnT 0.12500 0.12500 0.12500 0.29880 0.00920 FeT 0.12500 0.12500 0.12500 0.40490 0.00920 ZnT 0.12500 0.12500 0.12500 0.29770 0.00920 MgM 0.50000 0.50000 0.50000 0.00950 0.00930 AlM 0.50000 0.50000 0.50000 0.02830 0.00930 FeM 0.50000 0.50000 0.50000 0.93040 0.00930 MnM 0.50000 0.50000 0.50000 0.01990 0.00930 TiM 0.50000 0.50000 0.50000 0.01250 0.00930 O 0.26139 0.26139 0.26139 1.00000 0.01000 _cod_database_code 9005295