#------------------------------------------------------------------------------ #$Date: 2016-03-02 09:51:31 +0200 (Wed, 02 Mar 2016) $ #$Revision: 177123 $ #$URL: file:///home/coder/svn-repositories/cod/cif/5/91/02/5910284.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_5910284 loop_ _publ_author_name 'Wyckoff, R. W. G.' _publ_section_title ; Page 493 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951 ; _journal_name_full 'The Structure of Crystals' _journal_page_first 493 _journal_page_last 493 _journal_volume 3 _journal_year 1951 _chemical_formula_structural K3V5O14 _chemical_formula_sum 'K3 O14 V5' _space_group_IT_number 157 _symmetry_cell_setting hexagonal _symmetry_Int_Tables_number 157 _symmetry_space_group_name_Hall 'P 3 -2' _symmetry_space_group_name_H-M 'P 3 1 m' _audit_creation_date 2006-20-07 _audit_creation_method ; Page 493 from the Structure of Crystals, vol. 3 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 120 _cell_length_a 8.6796 _cell_length_b 8.6796 _cell_length_c 4.9914 _cell_volume 325.651 _cod_original_sg_symbol_H-M 'P 31 m' _cod_original_formula_sum 'K3 V5 O14' _cod_database_code 5910284 loop_ _symmetry_equiv_pos_as_xyz x,y,z -y,x-y,z -x+y,-x,z y,x,z x-y,-y,z -x,-x+y,z loop_ _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_label 0.60500 0.00000 0.00000 K1 0.00000 0.60500 0.00000 K2 -0.60500 -0.60500 0.00000 K3 0.33333 0.66667 0.47100 V1 0.66667 0.33333 0.47100 V2 0.23100 0.00000 0.47200 V3 0.00000 0.23100 0.47200 V4 -0.23100 -0.23100 0.47200 V5 0.33333 0.66667 0.79600 O1 0.66667 0.33333 0.79600 O2 0.24000 0.00000 0.78200 O3 0.00000 0.24000 0.78200 O4 -0.24000 -0.24000 0.78200 O5 0.83800 0.00000 0.36700 O6 0.00000 0.83800 0.36700 O7 -0.83800 -0.83800 0.36700 O8 0.46900 0.17700 0.36600 O9 -0.17700 0.29200 0.36600 O10 -0.29200 -0.46900 0.36600 O11 0.17700 0.46900 0.36600 O12 -0.46900 -0.29200 0.36600 O13 0.29200 -0.17700 0.36600 O14