#------------------------------------------------------------------------------
#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/1/01/05/1010524.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_1010524
loop_
_publ_author_name
'Zachariasen, W H'
_publ_section_title
;
The Crystal Lattice of Potassium Pyrosulphite,K₂ S₂ O₅ and the
Structure of the Pyrosulphite Group
;
_journal_coden_ASTM              PHRVAO
_journal_name_full
;
Physical Review (1,1893-132,1963/141,1966-188,1969)
;
_journal_page_first              923
_journal_page_last               935
_journal_volume                  40
_journal_year                    1932
_chemical_formula_structural     'K2 S2 O5'
_chemical_formula_sum            'K2 O5 S2'
_chemical_name_systematic        'Potassium pentaoxoduo-disulfate(IV)'
_space_group_IT_number           11
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 102.68
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.95
_cell_length_b                   6.19
_cell_length_c                   7.55
_cell_volume                     316.9
_cod_database_code               1010524
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,1/2+y,-z
-x,-y,-z
x,1/2-y,z
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 0.22 0.25 0.95 1. 0 d
K2 K1+ 2 e 0.65 0.25 0.67 1. 0 d
S1 S4+ 2 e 0.7 0.25 0.22 1. 0 d
S2 S4+ 2 e 0.01 0.25 0.32 1. 0 d
O1 O2- 4 f 0.07 0.06 0.24 1. 0 d
O2 O2- 4 f 0.63 0.06 0.31 1. 0 d
O3 O2- 2 e 0.67 0.25 0.03 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
K1+ 1.000
S4+ 4.000
O2- -2.000
