#------------------------------------------------------------------------------ #$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $ #$Revision: 19 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/9000068.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_9000068 _chemical_name 'Pyrobelonite' loop_ _publ_author_name 'Donaldson D M' 'Barnes W H' _journal_name_full "American Mineralogist" _journal_volume 40 _journal_year 1955 _journal_page_first 580 _journal_page_last 596 _publ_section_title ; The structures of the minerals of the descloizite and adelite groups: II - pyrobelonite. ; _chemical_formula_sum 'Pb Mn V O7 H' _cell_length_a 7.663 _cell_length_b 6.191 _cell_length_c 9.522 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 451.739 _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 Pb 0.13410 0.25000 0.17760 0.01267 Mn 0.00000 0.00000 0.50000 0.00760 V 0.36540 0.75000 0.31280 0.01013 O1 0.18400 0.75000 0.43700 ? O2 0.54000 0.75000 0.40800 ? O3 0.37100 0.51300 0.20900 ? O4 0.37100 0.98700 0.20900 ? O-H 0.13900 0.25000 0.41700 ?