#------------------------------------------------------------------------------ #$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $ #$Revision: 19 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/9007585.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_9007585 _chemical_name 'Blossite' loop_ _publ_author_name 'Mercurio-Lavaud D' 'Frit B' _journal_name_full "Acta Crystallographica, Section B" _journal_volume 29 _journal_year 1973 _journal_page_first 2737 _journal_page_last 2741 _publ_section_title ; Structure cristalline de la variete basse temperature du pyrovanadate de cuivre: Cu2V2O7 alpha Locality: synthetic ; _chemical_formula_sum 'Cu2 V2 O7' _cell_length_a 20.680 _cell_length_b 8.411 _cell_length_c 6.448 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1121.562 _symmetry_space_group_name_H-M 'F d d 2' loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' 'x,1/2+y,1/2+z' '1/2+x,y,1/2+z' '1/2+x,1/2+y,z' '1/4+x,1/4-y,1/4+z' '1/4+x,3/4-y,3/4+z' '3/4+x,1/4-y,3/4+z' '3/4+x,3/4-y,1/4+z' '1/4-x,1/4+y,1/4+z' '1/4-x,3/4+y,3/4+z' '3/4-x,1/4+y,3/4+z' '3/4-x,3/4+y,1/4+z' '-x,1/2-y,1/2+z' '-x,-y,+z' '1/2-x,1/2-y,+z' '1/2-x,-y,1/2+z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_Uiso_or_equiv Cu 0.16600 0.36400 0.75000 0.01482 V 0.19900 0.40500 0.23400 0.00937 O1 0.25000 0.25000 0.15200 0.03268 O2 0.24400 0.56000 0.27900 0.02394 O3 0.14400 0.43800 0.02800 0.01305 O4 0.16200 0.33900 0.46100 0.02406