#------------------------------------------------------------------------------ #$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $ #$Revision: 19 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/9007500.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_9007500 _chemical_name 'Xanthoconite' loop_ _publ_author_name 'Engel P' 'Nowacki W' _journal_name_full "Acta Crystallographica, Section B" _journal_volume 24 _journal_year 1968 _journal_page_first 77 _journal_page_last 81 _publ_section_title ; Die kristallstruktur von Ag3AsS3 ; _chemical_formula_sum 'Ag3 As S3' _cell_length_a 12.00 _cell_length_b 6.26 _cell_length_c 17.08 _cell_angle_alpha 90 _cell_angle_beta 110.00 _cell_angle_gamma 90 _cell_volume 1205.672 _symmetry_space_group_name_H-M 'C 1 2/c 1' loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,1/2+z' '1/2+x,1/2-y,1/2+z' '-x,y,1/2-z' '1/2-x,1/2+y,1/2-z' '-x,-y,-z' '1/2-x,1/2-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Ag1 0.14140 0.03470 0.21600 Ag2 0.06320 0.94020 0.43860 Ag3 0.36090 0.04570 0.13700 As 0.35730 0.05530 0.42920 S1 0.15420 0.19430 0.08420 S2 0.42400 0.14270 0.32720 S3 0.16550 0.14480 0.35880