#------------------------------------------------------------------------------ #$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $ #$Revision: 14 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/9009404.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_9009404 _chemical_name 'Wulfenite' loop_ _publ_author_name 'Lugli C' 'Medici L' 'Saccardo D' _journal_name_full "Neues Jahrbuch fur Mineralogie, Monatshefte" _journal_volume 1999 _journal_year 1999 _journal_page_first 281 _journal_page_last 288 _publ_section_title ; Natural wulfenite: structural refinement by single-crystal X-ray diffraction Locality: Monte Cengio, Vicenza, Italy ; _chemical_formula_sum 'Pb Mo O4' _cell_length_a 5.434 _cell_length_b 5.434 _cell_length_c 12.107 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 357.500 _symmetry_space_group_name_H-M 'I 41/a' loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' '1/2+x,1/2+y,1/2+z' '3/4+y,1/4-x,1/4-z' '1/4+y,3/4-x,3/4-z' '3/4-y,1/4+x,1/4+z' '1/4-y,3/4+x,3/4+z' '1/2+x,y,1/2-z' '+x,1/2+y,-z' '1/2-x,-y,1/2+z' '-x,1/2-y,+z' '3/4-y,3/4+x,3/4-z' '1/4-y,1/4+x,1/4-z' '3/4+y,3/4-x,3/4+z' '1/4+y,1/4-x,1/4+z' '-x,-y,-z' '1/2-x,1/2-y,1/2-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_Uiso_or_equiv Pb 0.50000 0.25000 0.37500 0.01013 Mo 0.00000 0.25000 0.62500 0.00583 O 0.76540 0.11400 0.54410 0.01659