#------------------------------------------------------------------------------ #$Date: 2012-02-28 14:14:52 +0200 (Tue, 28 Feb 2012) $ #$Revision: 35911 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/01/02/1010217.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_1010217 _chemical_name_systematic 'Potassium chlorate' _chemical_formula_structural 'K Cl O3' _chemical_formula_sum 'Cl K O3' _publ_section_title 'The Crystal Structure of Potassium Chlorate' loop_ _publ_author_name 'Zachariasen, W H' _journal_name_full ; Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) ; _journal_coden_ASTM ZEKGAX _journal_volume 71 _journal_year 1929 _journal_page_first 501 _journal_page_last 516 _cell_length_a 4.647(4) _cell_length_b 5.585(5) _cell_length_c 7.085(7) _cell_angle_alpha 90 _cell_angle_beta 109.63(8) _cell_angle_gamma 90 _cell_volume 173.2 _cell_formula_units_Z 2 _symmetry_space_group_name_H-M 'P 1 21/m 1 S' _symmetry_Int_Tables_number 11 _symmetry_cell_setting monoclinic loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' '1/2-x,1/2+y,-z' '1/2-x,1/2-y,-z' 'x,-y,z' loop_ _atom_type_symbol _atom_type_oxidation_number K1+ 1.000 Cl5+ 5.000 O2- -2.000 loop_ _atom_site_label _atom_site_type_symbol _atom_site_symmetry_multiplicity _atom_site_Wyckoff_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_attached_hydrogens _atom_site_calc_flag K1 K1+ 2 e 0.366 0. -0.298 1. 0 d Cl1 Cl5+ 2 e 0.106 0. 0.175 1. 0 d O1 O2- 2 e 0.405 0. 0.111 1. 0 d O2 O2- 4 f 0.139 0.222 0.278 1. 0 d _cod_database_code 1010217