#------------------------------------------------------------------------------ #$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $ #$Revision: 19 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/9009582.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_9009582 _chemical_name 'Trippkeite' loop_ _publ_author_name 'Pertlik F' _journal_name_full "Tschermaks Mineralogische und Petrographische Mitteilungen" _journal_volume 22 _journal_year 1975 _journal_page_first 211 _journal_page_last 217 _publ_section_title ; Verfeinerung der kristallstruktur von synthetischem trippkeit, CuAs2O4 ; _chemical_formula_sum 'Cu As2 O4' _cell_length_a 8.592 _cell_length_b 8.592 _cell_length_c 5.573 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 411.413 _symmetry_space_group_name_H-M 'P 42/m b c' loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' '1/2-y,1/2-x,1/2+z' '1/2+y,1/2+x,1/2-z' 'y,-x,1/2-z' '-y,x,1/2+z' '1/2+x,1/2-y,z' '1/2-x,1/2+y,-z' 'x,y,-z' '-x,-y,z' '1/2+y,1/2+x,1/2+z' '1/2-y,1/2-x,1/2-z' '-y,x,1/2-z' 'y,-x,1/2+z' '1/2-x,1/2+y,z' '1/2+x,1/2-y,-z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_Uiso_or_equiv Cu 0.00000 0.50000 0.25000 0.01039 As 0.20080 0.16130 0.00000 0.01102 O1 0.70340 0.20340 0.25000 0.01773 O2 0.09710 0.62460 0.00000 0.00633