#------------------------------------------------------------------------------ #$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $ #$Revision: 19 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/9007710.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_9007710 _chemical_name 'Massicot' loop_ _publ_author_name 'Hill R J' _journal_name_full "Acta Crystallographica, Section C" _journal_volume 41 _journal_year 1985 _journal_page_first 1281 _journal_page_last 1284 _publ_section_title ; Refinement of the structure of orthorhombic PbO (massicot) by Rietveld analysis of neutron powder diffraction data Locality: synthetic: Merck 'pro analyse' (batch number 0093820) ; _chemical_formula_sum 'Pb O' _cell_length_a 5.8931 _cell_length_b 5.4904 _cell_length_c 4.7528 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 153.779 _symmetry_space_group_name_H-M 'P b c m' loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' 'x,1/2-y,1/2+z' '-x,1/2+y,1/2-z' '-x,1/2+y,z' 'x,1/2-y,-z' 'x,y,1/2-z' '-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 0.22970 -0.01160 0.25000 0.01355 O -0.13470 0.09170 0.25000 0.01444