#------------------------------------------------------------------------------ #$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $ #$Revision: 14 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/9009651.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_9009651 _chemical_name 'Arsenic' loop_ _publ_author_name 'Schiferl D' 'Barrett CS' _journal_name_full "Journal of Applied Crystallography" _journal_volume 2 _journal_year 1969 _journal_page_first 30 _journal_page_last 36 _publ_section_title ; The crystal structure of arsenic at 4.2, 78 and 299 K Sample: T = 78 K ; _chemical_formula_sum 'As' _cell_length_a 3.7595 _cell_length_b 3.7595 _cell_length_c 10.4573 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 128.000 _symmetry_space_group_name_H-M 'R 3 m' loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' '2/3+x,1/3+y,1/3+z' '1/3+x,2/3+y,2/3+z' 'x,x-y,z' '2/3+x,1/3+x-y,1/3+z' '1/3+x,2/3+x-y,2/3+z' '-y,-x,z' '2/3-y,1/3-x,1/3+z' '1/3-y,2/3-x,2/3+z' '-x+y,y,z' '2/3-x+y,1/3+y,1/3+z' '1/3-x+y,2/3+y,2/3+z' '-y,x-y,z' '2/3-y,1/3+x-y,1/3+z' '1/3-y,2/3+x-y,2/3+z' '-x+y,-x,z' '2/3-x+y,1/3-x,1/3+z' '1/3-x+y,2/3-x,2/3+z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_Uiso_or_equiv As 0.00000 0.00000 0.22754 0.00407