#------------------------------------------------------------------------------ #$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $ #$Revision: 19 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/9009373.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_9009373 _chemical_name 'Gunningite' loop_ _publ_author_name 'Wildner M' 'Giester G' _journal_name_full "Neues Jahrbuch fur Mineralogie, Monatshefte" _journal_volume 1991 _journal_year 1991 _journal_page_first 296 _journal_page_last 306 _publ_section_title ; The crystal structures of kieserite-type compounds. I. Crystal structures of Me(II)SO4*H2O (Me = Mn,Fe,Co,Ni,Zn) Locality: synthetic ; _chemical_formula_sum 'Zn S O5 H2' _cell_length_a 6.925 _cell_length_b 7.591 _cell_length_c 7.635 _cell_angle_alpha 90 _cell_angle_beta 118.19 _cell_angle_gamma 90 _cell_volume 353.748 _symmetry_space_group_name_H-M 'C 1 2/c 1' loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,1/2+z' '1/2+x,1/2-y,1/2+z' '-x,y,1/2-z' '1/2-x,1/2+y,1/2-z' '-x,-y,-z' '1/2-x,1/2-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_Uiso_or_equiv Zn 0.00000 0.50000 0.00000 ? S 0.00000 0.15510 0.25000 ? O1 0.17140 0.04400 0.39970 ? O2 0.09930 0.26870 0.15560 ? O3 0.00000 0.63800 0.25000 ? H 0.10100 0.70100 0.28700 0.04300