#------------------------------------------------------------------------------ #$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $ #$Revision: 19 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/9009867.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_9009867 _chemical_name 'Finnemanite' loop_ _publ_author_name 'Effenberger H' 'Pertlik F' _journal_name_full "Anzeiger der Osterreichische Akademie der Wissenschaften" _journal_volume 114 _journal_year 1977 _journal_page_first 209 _journal_page_last 211 _publ_section_title ; Der strukturtyp von finnemanit, Pb5Cl(AsO3)3 Locality: Langban, Varmland, Sweden ; _chemical_formula_sum 'Pb5 Cl As3 O9' _cell_length_a 10.322 _cell_length_b 10.322 _cell_length_c 7.054 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 650.869 _symmetry_space_group_name_H-M 'P 63/m' loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' '-x+y,-x,1/2-z' 'x-y,x,1/2+z' 'y,-x+y,-z' '-y,x-y,z' 'x,y,1/2-z' '-x,-y,1/2+z' 'x-y,x,-z' '-x+y,-x,z' '-y,x-y,1/2-z' 'y,-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 Pb1 0.33333 0.66667 0.98980 0.02254 Pb2 0.26440 0.03630 0.25000 0.01381 Cl 0.00000 0.00000 0.00000 0.01191 As 0.41360 0.40070 0.25000 0.01102 O1 0.62000 0.46800 0.25000 0.01102 O2 0.36800 0.27800 0.06300 0.01406