#------------------------------------------------------------------------------ #$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $ #$Revision: 14 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/9004771.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_9004771 _chemical_name 'Argentojarosite' loop_ _publ_author_name 'Groat L A' 'Jambor J L' 'Pemberton B C' _journal_name_full "The Canadian Mineralogist" _journal_volume 41 _journal_year 2003 _journal_page_first 921 _journal_page_last 928 _publ_section_title ; The crystal structure of argentojarosite, AgFe3(SO4)2(OH)6 Locality: Tintic Standard mine at Dividend, central Utah ; _chemical_formula_sum 'Ag (Fe2.88 Al.12) S2 O14 H6' _cell_length_a 7.3398 _cell_length_b 7.3398 _cell_length_c 16.538 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 771.582 _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' '-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' '-x,-y,-z' '2/3-x,1/3-y,1/3-z' '1/3-x,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_occupancy _atom_site_Uiso_or_equiv AgA 0.00000 0.00000 0.50000 1.00000 0.03090 FeG 0.50000 0.00000 0.00000 0.96000 0.00760 AlG 0.50000 0.00000 0.00000 0.04000 0.00760 ST 0.00000 0.00000 0.18769 1.00000 0.00850 O1 0.55680 0.44320 0.11590 1.00000 0.01360 O2 0.00000 0.00000 0.09920 1.00000 0.01280 O-h 0.45890 0.54110 0.29990 1.00000 0.01210 H 0.53100 0.46900 0.27900 1.00000 0.05000