#------------------------------------------------------------------------------ #$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $ #$Revision: 19 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/9007480.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_9007480 _chemical_name 'Starkeyite' loop_ _publ_author_name 'Baur W H' _journal_name_full "Acta Crystallographica" _journal_volume 17 _journal_year 1964 _journal_page_first 863 _journal_page_last 869 _publ_section_title ; On the crystal chemistry of salt hydrates. II. A neutron diffraction study of MgSO4*4H2O Locality: synthetic ; _chemical_formula_sum 'Mg S O8 H8' _cell_length_a 5.922 _cell_length_b 13.604 _cell_length_c 7.905 _cell_angle_alpha 90 _cell_angle_beta 90.85 _cell_angle_gamma 90 _cell_volume 636.780 _symmetry_space_group_name_H-M 'P 1 21/n 1' loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' '1/2+x,1/2-y,1/2+z' '1/2-x,1/2+y,1/2-z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Mg 0.06910 0.10300 0.22160 S 0.19570 0.10700 0.82630 O1 0.00740 0.04600 0.76010 O2 0.24820 0.07740 0.00110 O3 0.39750 0.09130 0.72180 O4 0.12900 0.21060 0.81480 O5 0.35830 0.07400 0.35890 O6 0.77160 0.13950 0.09140 O7 0.89140 0.12820 0.44120 O8 0.17520 0.24820 0.22220 H1 0.37260 0.08510 0.47970 H2 0.45800 0.02320 0.32460 H3 0.68020 0.19040 0.14170 H4 0.68190 0.09430 0.03300 H5 0.80180 0.18550 0.45600 H6 0.92070 0.09800 0.55330 H7 0.31670 0.26450 0.27530 H8 0.57710 0.19380 0.72490