#------------------------------------------------------------------------------ #$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $ #$Revision: 19 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/9009786.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_9009786 _chemical_name 'Chiolite' loop_ _publ_author_name 'Brosset C' _journal_name_full "Zeitschrift fur Anorganische und Allgemeine Chemie" _journal_volume 238 _journal_year 1938 _journal_page_first 201 _journal_page_last 208 _publ_section_title ; Die kristallstruktur des chioliths ; _chemical_formula_sum 'Na5 Al3 F14' _cell_length_a 7.00 _cell_length_b 7.00 _cell_length_c 10.39 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 509.110 _symmetry_space_group_name_H-M 'P 4/m n c' loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' '1/2-y,1/2-x,1/2+z' '1/2+y,1/2+x,1/2-z' 'y,-x,-z' '-y,x,z' '1/2+x,1/2-y,1/2+z' '1/2-x,1/2+y,1/2-z' 'x,y,-z' '-x,-y,z' '1/2+y,1/2+x,1/2+z' '1/2-y,1/2-x,1/2-z' '-y,x,-z' 'y,-x,z' '1/2-x,1/2+y,1/2+z' '1/2+x,1/2-y,1/2-z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Na1 0.00000 0.00000 0.50000 Na2 0.27500 0.77500 0.25000 Al1 0.00000 0.00000 0.00000 Al2 0.00000 0.50000 0.00000 F1 0.00000 0.00000 0.18500 F2 0.07000 0.25000 0.00000 F3 0.21000 0.53500 0.12000