#------------------------------------------------------------------------------ #$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $ #$Revision: 966 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/9009654.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_9009654 loop_ _publ_author_name 'Schiferl D' 'Barrett CS' _publ_section_title ; The crystal structure of arsenic at 4.2, 78 and 299 K Sample: T = 78 K ; _journal_name_full 'Journal of Applied Crystallography' _journal_page_first 30 _journal_page_last 36 _journal_volume 2 _journal_year 1969 _chemical_formula_sum Sb _chemical_name_mineral Antimony _space_group_IT_number 160 _symmetry_space_group_name_Hall 'R 3 -2"' _symmetry_space_group_name_H-M 'R 3 m :H' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_length_a 3.7595 _cell_length_b 3.7595 _cell_length_c 10.4573 _cell_volume 128.000 _diffrn_ambient_temperature 78 _[local]_cod_cif_authors_sg_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 Sb 0.00000 0.00000 0.23364 _cod_database_code 9009654