#------------------------------------------------------------------------------ #$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $ #$Revision: 19 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/9002376.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_9002376 _chemical_name 'Pinalite' loop_ _publ_author_name 'Grice J D' 'Dunn P J' _journal_name_full "American Mineralogist" _journal_volume 85 _journal_year 2000 _journal_page_first 806 _journal_page_last 809 _publ_section_title ; Crystal-structure determination of pinalite ; _chemical_formula_sum 'Pb3 W O5 Cl2' _cell_length_a 11.073 _cell_length_b 13.067 _cell_length_c 5.617 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 812.729 _symmetry_space_group_name_H-M 'A m a m' loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' 'x,1/2+y,1/2+z' '1/2+x,-y,z' '1/2+x,1/2-y,1/2+z' '1/2-x,y,-z' '1/2-x,1/2+y,1/2-z' 'x,y,-z' 'x,1/2+y,1/2-z' '-x,-y,z' '-x,1/2-y,1/2+z' '1/2-x,y,z' '1/2-x,1/2+y,1/2+z' '1/2+x,-y,-z' '1/2+x,1/2-y,1/2-z' '-x,-y,-z' '-x,1/2-y,1/2-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Pb1 0.46780 0.34890 0.00000 Pb2 0.75000 0.40020 -0.50000 W 0.75000 0.23500 0.00000 O1 0.63200 0.27000 0.23200 O2 0.75000 0.10500 0.00000 Cl1 0.50000 0.50000 -0.50000 Cl2 0.75000 0.47500 0.00000