#------------------------------------------------------------------------------ #$Date: 2016-02-16 14:49:47 +0200 (Tue, 16 Feb 2016) $ #$Revision: 176465 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/01/48/9014845.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/. The original data for this entry # were provided the American Mineralogist Crystal Structure Database, # http://rruff.geo.arizona.edu/AMS/amcsd.php # # The file may be used within the scientific community so long as # proper attribution is given to the journal article from which the # data were obtained. # data_9014845 loop_ _publ_author_name 'Schrewelius, N.' _publ_section_title ; Roentgenuntersuchung der Verbindungen Na Sb (O H)6, Na Sb F6, Na Sb O3 und gleichartiger Stoffe _cod_database_code 1010155 ; _journal_name_full 'Zeitschrift fur Anorganische und Allgemeine Chemie' _journal_page_first 241 _journal_page_last 254 _journal_volume 238 _journal_year 1938 _chemical_formula_sum 'F4 Na O2 Sb' _space_group_IT_number 163 _symmetry_space_group_name_Hall '-P 3 2c' _symmetry_space_group_name_H-M 'P -3 1 c' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_length_a 5.227 _cell_length_b 5.227 _cell_length_c 9.98 _cell_volume 236.138 _database_code_amcsd 0017085 _exptl_crystal_density_diffrn 3.554 _cod_original_formula_sum 'Na Sb (F4 O2)' _cod_database_code 9014845 _amcsd_formula_title 'F4 H2 Na O2 Sb' loop_ _space_group_symop_operation_xyz x,y,z x-y,-y,1/2+z y,-x+y,-z -y,-x,1/2-z -x+y,-x,z -x,-x+y,1/2+z -x,-y,-z -x+y,y,1/2-z -y,x-y,z y,x,1/2+z x-y,x,-z x,x-y,1/2-z loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Na1 0.00000 0.00000 0.00000 1.00000 Sb1 0.33333 0.66667 0.25000 1.00000 F1 0.33333 0.33333 0.15000 0.66670 O1 0.33333 0.33333 0.15000 0.33330