#------------------------------------------------------------------------------ #$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $ #$Revision: 14 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/9007515.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_9007515 _chemical_name 'Na2HAsO4*7H2O' loop_ _publ_author_name 'Baur W H' 'Khan A A' _journal_name_full "Acta Crystallographica, Section B" _journal_volume 26 _journal_year 1970 _journal_page_first 1584 _journal_page_last 1596 _publ_section_title ; On the crystal chemistry of salt hydrates. VI. The crystal structures of disodi hydrogen orthoarsenate heptahydrate and of disodium hydrogen orthophosphate hep ; _chemical_formula_sum 'Na2 As O11 H15' _cell_length_a 9.401 _cell_length_b 11.025 _cell_length_c 10.674 _cell_angle_alpha 90 _cell_angle_beta 95.50 _cell_angle_gamma 90 _cell_volume 1101.224 _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 Na1 0.14610 0.10150 0.47820 Na2 0.63580 0.10400 0.97960 As 0.10250 0.26560 0.89620 O1 0.26570 0.25420 0.85170 O2 0.09760 0.24710 0.05100 O3 0.98310 0.17880 0.81370 O-h4 0.55890 0.08490 0.36260 Ow5 0.48130 0.25500 0.05590 Ow6 0.80730 0.24980 0.09370 Ow7 0.19590 0.24980 0.31530 Ow8 0.93020 0.02330 0.35180 Ow9 0.30170 0.98440 0.36540 Ow10 0.41340 0.03690 0.86280 Ow11 0.18140 0.00610 0.11250 H1 0.46500 0.04800 0.36400 H2 0.38600 0.25800 0.01300 H3 0.47700 0.27000 0.14500 H4 0.80800 0.24800 0.18500 H5 0.90500 0.24900 0.07100 H6 0.13200 0.23600 0.23900 H7 0.29000 0.27100 0.29300 H8 0.87000 0.09100 0.32400 H9 0.94300 0.97100 0.28100 H10 0.32900 0.90500 0.39800 H11 0.25700 0.97600 0.28000 H12 0.35700 0.11000 0.84700 H13 0.41900 0.99400 0.78400 H14 0.17700 0.08800 0.07800 H15 0.08500 0.97800 0.12200