#------------------------------------------------------------------------------ #$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $ #$Revision: 14 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/9007964.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_9007964 _chemical_name 'ZnHg(AsO4)(OH)' loop_ _publ_author_name 'Weil M' _journal_name_full "Acta Crystallographica, Section E" _journal_volume 60 _journal_year 2004 _journal_page_first i25 _journal_page_last i27 _publ_section_title ; ZnHg(AsO4)(OH) with a descloizite-type structure ; _chemical_formula_sum 'Zn Hg As O5 H' _cell_length_a 7.6826 _cell_length_b 6.2459 _cell_length_c 8.6691 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 415.985 _symmetry_space_group_name_H-M 'P n m a' loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' 'x,1/2-y,z' '-x,1/2+y,-z' '1/2-x,1/2+y,1/2+z' '1/2+x,1/2-y,1/2-z' '1/2+x,y,1/2-z' '1/2-x,-y,1/2+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 Zn 0.00000 0.00000 0.00000 0.00928 Hg 0.39038 0.25000 0.82965 0.01511 As 0.35298 0.25000 0.18336 0.00693 O1 0.36640 0.02450 0.28870 0.01220 O2 0.01410 0.25000 0.45320 0.01420 O3 0.16820 0.25000 0.07680 0.01080 O4 0.36110 0.25000 0.58790 0.00860 H 0.26400 0.25000 0.55600 0.03000