#------------------------------------------------------------------------------ #$Date: 2009-05-13 21:45:18 +0300 (Wed, 13 May 2009) $ #$Revision: 720 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/1010488.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_1010488 _chemical_name_systematic 'Sodium antimony(V) dialuminium oxide' _chemical_formula_structural 'Na Sb (Al O3)2' _chemical_formula_sum 'Al2 Na O6 Sb' _publ_section_title 'Ueber ein neues Mineral von Langban.' loop_ _publ_author_name 'Aminoff, G' _journal_name_full ; Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) ; _journal_coden_ASTM ZEKGAX _journal_volume 60 _journal_year 1924 _journal_page_first 262 _journal_page_last 274 _cell_length_a 5.4 _cell_length_b 5.4 _cell_length_c 8.81 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 222.5 _cell_formula_units_Z 2 _exptl_crystal_density_meas 4.28 _symmetry_space_group_name_H-M 'P 63/m m c' _symmetry_Int_Tables_number 194 _symmetry_cell_setting hexagonal loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' '-y,x-y,z' 'y-x,-x,z' '-y,-x,z' 'y-x,y,z' 'x,x-y,z' '-x,-y,-z' 'y,y-x,-z' 'x-y,x,-z' 'y,x,-z' 'x-y,-y,-z' '-x,y-x,-z' '-x,-y,1/2+z' 'y,y-x,1/2+z' 'x-y,x,1/2+z' 'y,x,1/2+z' 'x-y,-y,1/2+z' '-x,y-x,1/2+z' 'x,y,1/2-z' '-y,x-y,1/2-z' 'y-x,-x,1/2-z' '-y,-x,1/2-z' 'y-x,y,1/2-z' 'x,x-y,1/2-z' loop_ _atom_type_symbol _atom_type_oxidation_number Na1+ 1.000 Sb5+ 5.000 Al3+ 3.000 O2- -2.000 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+ 2 a 0. 0. 0. 1. 0 d Sb1 Sb5+ 2 d 0.3333 0.6667 0.75 1. 0 d Al1 Al3+ 4 f 0.3333 0.6667 0.087 1. 0 d O1 O2- 12 ? -1. -1. -1. 1. 0 dum