#------------------------------------------------------------------------------ #$Date: 2010-01-30 14:59:17 +0100 (Sat, 30 Jan 2010) $ #$Revision: 966 $ #$URL: svn://www.crystallography.net/cod/cif/9/9009970.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_9009970 loop_ _publ_author_name 'Nguyen N' 'Choisnet J' 'Raveau B' _publ_section_title ; Silicates synthetiques a structure milarite Locality: synthetic ; _journal_name_full 'Journal of Solid State Chemistry' _journal_page_first 1 _journal_page_last 9 _journal_volume 34 _journal_year 1980 _chemical_formula_sum 'Mg5 Na O30 Rb Si12' _[local]_cod_chemical_formula_sum_orig 'Rb Na Mg5 Si12 O30' _chemical_name_mineral RbNaMg5Si12O30 _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 10.135 _cell_length_b 10.135 _cell_length_c 14.376 _cell_volume 1278.840 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 RbA1 0.00000 0.00000 0.25000 1.00000 0.02533 NaA2 0.33333 0.66667 0.00000 0.50000 0.01900 MgM1 0.33333 0.66667 0.25000 1.00000 0.01900 MgM2 0.50000 0.00000 0.25000 1.00000 0.00887 Si 0.76100 0.11600 0.10700 1.00000 0.01267 O1 0.73000 0.13900 0.00000 1.00000 0.00760 O2 0.94200 0.22300 0.13600 1.00000 0.01267 O3 0.65800 0.15500 0.16300 1.00000 0.00887 _cod_database_code 9009970