#------------------------------------------------------------------------------ #$Date: 2013-03-28 18:17:04 +0200 (Thu, 28 Mar 2013) $ #$Revision: 77586 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/01/09/1010998.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_1010998 loop_ _publ_author_name 'Barth, T F W' _publ_section_title ; The Structures of the Minerals of the Sodalite Family ; _journal_coden_ASTM ZEKGAX _journal_name_full ; Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) ; _journal_page_first 405 _journal_page_last 414 _journal_volume 83 _journal_year 1932 _chemical_compound_source ; from Laacher See, Eifel, Germany and synthetic ; _chemical_formula_structural 'Na8 Al6 Si6 O24 (S O4)' _chemical_formula_sum 'Al6 Na8 O28 S Si6' _chemical_name_mineral Nosean _chemical_name_systematic 'Sodium aluminium silicate sulfate *' _symmetry_cell_setting cubic _symmetry_Int_Tables_number 215 _symmetry_space_group_name_H-M 'P -4 3 m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 1 _cell_length_a 9.05 _cell_length_b 9.05 _cell_length_c 9.05 _cell_volume 741.2 _cod_database_code 1010998 loop_ _symmetry_equiv_pos_as_xyz x,y,z y,z,x z,x,y x,z,y y,x,z z,y,x x,-y,-z y,-z,-x z,-x,-y x,-z,-y y,-x,-z z,-y,-x -x,y,-z -y,z,-x -z,x,-y -x,z,-y -y,x,-z -z,y,-x -x,-y,z -y,-z,x -z,-x,y -x,-z,y -y,-x,z -z,-y,x loop_ _atom_site_label _atom_site_type_symbol _atom_site_symmetry_multiplicity _atom_site_Wyckoff_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_attached_hydrogens _atom_site_calc_flag Na1 Na1+ 4 e 0.15 0.15 0.15 1. 0 d Na2 Na1+ 4 e 0.75 0.75 0.75 1. 0 d Al1 Al3+ 12 h 0.25 0. 0.5 0.5 0 d Si1 Si4+ 12 h 0.25 0. 0.5 0.5 0 d O1 O2- 12 i 0.144 0.144 0.473 1. 0 d O2 O2- 12 i 0.645 0.645 -0.028 1. 0 d O3 O2- 4 e 0.897 0.897 0.897 1. 0 d S1 S6+ 1 a 0. 0. 0. 1. 0 d loop_ _atom_type_symbol _atom_type_oxidation_number Na1+ 1.000 Al3+ 3.000 Si4+ 4.000 O2- -2.000 S6+ 6.000