#------------------------------------------------------------------------------ #$Date: 2016-03-02 09:51:31 +0200 (Wed, 02 Mar 2016) $ #$Revision: 177123 $ #$URL: file:///home/coder/svn-repositories/cod/cif/5/91/01/5910192.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_5910192 loop_ _publ_author_name 'Wyckoff, R. W. G.' _publ_section_title ; Pages 79 & 80 from the Structure of Crystals, vol. 4 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951 ; _journal_name_full 'The Structure of Crystals' _journal_page_first 79 _journal_page_last 80 _journal_volume 4 _journal_year 1951 _chemical_formula_structural NaNb6O15F _chemical_formula_sum 'F Na Nb6 O15' _space_group_IT_number 38 _symmetry_cell_setting orthorhombic _symmetry_Int_Tables_number 38 _symmetry_space_group_name_Hall 'A 2 -2' _symmetry_space_group_name_H-M 'A m m 2' _audit_creation_date 2006-30-10 _audit_creation_method ; Pages 79 & 80 from the Structure of Crystals, vol. 4 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951 ; _audit_update_record 'created by Girish Upreti, Portland State University' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_length_a 3.949 _cell_length_b 10.192 _cell_length_c 14.721 _cell_volume 592.494 _cod_original_formula_sum 'Na Nb6 O15 F' _cod_database_code 5910192 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,-y,z -x,y,z x,-y,z x,y+1/2,z+1/2 -x,-y+1/2,z+1/2 -x,y+1/2,z+1/2 x,-y+1/2,z+1/2 loop_ _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_label 0.00000 0.00000 0.00000 Nb1 0.00000 0.50000 0.50000 Nb2 0.50000 0.00000 0.40400 Na1 0.50000 0.50000 0.90400 Na2 0.00000 0.31860 0.06200 Nb3 0.00000 -0.31860 0.06200 Nb4 0.00000 0.81860 0.56200 Nb5 0.00000 -0.18140 0.56200 Nb6 0.50000 0.32400 0.05200 O1 0.50000 -0.32400 0.05000 O2 0.50000 0.82400 0.55000 O3 0.50000 0.17600 0.55000 O4