#------------------------------------------------------------------------------ #$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $ #$Revision: 14 $ #$URL: file:///home/coder/svn-repositories/cod/cif/2/2009816.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_2009816 _journal_name_full 'Acta Crystallographica' _journal_year 1994 _journal_volume C50 _journal_page_first 991 _journal_page_last 994 _publ_section_title ; Cadmium Selenite-Water (4/3) and Two Polymorphic Forms of Cadmium Selenite ; loop_ _publ_author_name 'Valkonen, J.' _chemical_formula_sum 'Cd1 O3 Se1' _chemical_formula_weight 239.36 _symmetry_cell_setting orthorhombic _symmetry_space_group_name_H-M 'P n m a' _symmetry_space_group_name_Hall '-P 2ac 2n' _cell_length_a 6.2773(6) _cell_length_b 8.085(3) _cell_length_c 5.2939(4) _cell_angle_alpha 90. _cell_angle_beta 90. _cell_angle_gamma 90. _cell_volume 268.68(9) _cell_formula_units_Z 4 _cell_measurement_temperature 298 _exptl_crystal_density_diffrn 5.92 _refine_ls_R_factor_obs 2.2 _refine_ls_wR_factor_obs 2.9 loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Cd(1) .000 .000 .000 .00690(10) Se(1) .02906(7) .250 .51643(9) .00490(10) O(1) .0904(7) .250 .2024(7) .0079(6) O(2) .1743(4) .0871(4) .6308(5) .0091(5) loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_publ_flag Cd(1) O(1) 2.357(2) yes Cd(1) O(1) 2.357(2) yes Cd(1) O(2) 2.348(3) yes Cd(1) O(2) 2.348(3) yes Cd(1) O(2) 2.271(3) yes Cd(1) O(2) 2.271(3) yes Se(1) O(1) 1.706(4) yes Se(1) O(2) 1.713(3) yes Se(1) O(2) 1.713(3) yes