#------------------------------------------------------------------------------ #$Date: 2009-11-18 16:56:34 +0200 (Wed, 18 Nov 2009) $ #$Revision: 858 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/9006647.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_9006647 loop_ _publ_author_name 'Knorr K' 'Meschke M' 'Winkler B' _publ_section_title ; Structural and magnetic properties of Co2Al4Si5O18 and Mn2Al4Si5O18 cordierite ; _journal_name_full 'Physics and Chemistry of Minerals' _journal_page_first 521 _journal_page_last 529 _journal_volume 26 _journal_year 1999 _chemical_formula_sum 'Al4 Co2 O18 Si5' _[local]_cod_chemical_formula_sum_orig 'Co2 (Al4 Si5) O18' _chemical_name_mineral Co2Al4Si5O18 _symmetry_space_group_name_H-M 'P 6/m c c' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_length_a 9.841 _cell_length_b 9.841 _cell_length_c 9.372 _cell_volume 786.034 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,-x+y,1/2+z x,x-y,1/2-z -x+y,-x,-z x-y,x,z -y,-x,1/2+z y,x,1/2-z y,-x+y,-z -y,x-y,z x-y,-y,1/2+z -x+y,y,1/2-z x,y,-z -x,-y,z x,x-y,1/2+z -x,-x+y,1/2-z x-y,x,-z -x+y,-x,z y,x,1/2+z -y,-x,1/2-z -y,x-y,-z y,-x+y,z -x+y,y,1/2+z x-y,-y,1/2-z -x,-y,-z 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 Co 0.33333 0.66667 0.25000 1.00000 0.01254 AlT1 0.50000 0.50000 0.25000 0.66667 0.02520 SiT1 0.50000 0.50000 0.25000 0.33333 0.02520 AlT2 0.36700 0.26200 0.00000 0.33333 0.02520 SiT2 0.36700 0.26200 0.00000 0.66667 0.02520 O1 0.48090 0.34620 0.14330 1.00000 0.00013 O2 0.22730 0.30380 0.00000 1.00000 0.00013