#------------------------------------------------------------------------------ #$Date: 2009-11-16 03:43:51 +0200 (Mon, 16 Nov 2009) $ #$Revision: 853 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/9005296.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_9005296 _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: SPN258 ; _journal_name_full 'European Journal of Mineralogy' _journal_page_first 31 _journal_page_last 42 _journal_volume 9 _journal_year 1997 _chemical_formula_sum '(Mg.142 Al1.773 Mn.815 Fe.27) O4' _chemical_name_mineral Galaxite _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_length_a 8.2226 _cell_length_b 8.2226 _cell_length_c 8.2226 _cell_volume 555.939 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 MgT 0.12500 0.12500 0.12500 0.11730 0.00660 AlT 0.12500 0.12500 0.12500 0.01610 0.00660 MnT 0.12500 0.12500 0.12500 0.66330 0.00660 FeT 0.12500 0.12500 0.12500 0.20330 0.00660 MgM 0.50000 0.50000 0.50000 0.01230 0.00570 AlM 0.50000 0.50000 0.50000 0.87830 0.00570 FeM 0.50000 0.50000 0.50000 0.03350 0.00570 MnM 0.50000 0.50000 0.50000 0.07590 0.00570 O 0.26521 0.26521 0.26521 1.00000 0.00880