#------------------------------------------------------------------------------ #$Date: 2009-11-14 13:09:05 +0000 (Sat, 14 Nov 2009) $ #$Revision: 846 $ #$URL: svn://www.crystallography.net/cod/cif/2/2004884.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_2004884 _journal_name_full 'Acta Crystallographica C' _journal_volume 52 _journal_year 1996 _journal_page_first 1061 _journal_page_last 1063 _publ_section_title ; Rb~3~H(SeO~4~)~2~ at 4 K by Neutron Powder Diffraction\\dag ; _chemical_formula_moiety 'H O8 Rb3 Se2' _chemical_formula_sum 'H O8 Rb3 Se2' _chemical_formula_weight 543.32 _symmetry_cell_setting 'monoclinic' loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' '-x,-y,-z' '1/2-x,y,-z' '-1/2+x,-y,+z' '-x,1/2-y,1/2-z' '3/2-x,1/2+y,1/2-z' _symmetry_space_group_name_H-M 'A 2/a' _cell_length_a 10.38719(8) _cell_length_b 6.03925(2) _cell_length_c 15.29563(7) _cell_angle_alpha 90. _cell_angle_beta 102.8246(4) _cell_angle_gamma 90. _cell_volume 935.572 _cell_formula_units_z 4 _exptl_crystal_density_diffrn 3.857 _cell_measurement_temperature 4 loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Rb(1) .25 .7561(7) 0 .0091(8) Rb(2) .6519(3) .7346(5) .1945(2) .0079(5) Se .4628(2) .2269(4) .11680(10) .0066(5) O(1) .3995(4) .0160(6) .1572(2) .0096(8) O(2) .4427(3) .1767(5) .0065(2) .0085(6) O(3) .6213(3) .2418(6) .1547(2) .0084(6) O(4) .3882(3) .4570(6) .1283(2) .0108(8) H .009(2) .023(3) .0040(10) .015(3)