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#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1010524.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
_chemical_name_systematic          'Potassium pentaoxoduo-disulfate(IV)'
_chemical_formula_structural       'K2 S2 O5'
_chemical_formula_sum              'K2 O5 S2'
_publ_section_title
;
The Crystal Lattice of Potassium Pyrosulphite,K~2~ S~2~ O~5~ and the
Structure of the Pyrosulphite Group
;
_publ_author_name                  'Zachariasen, W H'
_journal_name_full
;
Physical Review (1,1893-132,1963/141,1966-188,1969)
;
_journal_coden_ASTM                PHRVAO
_journal_volume                    40
_journal_year                      1932
_journal_page_first                923
_journal_page_last                 935
_cell_length_a                     6.95
_cell_length_b                     6.19
_cell_length_c                     7.55
_cell_angle_alpha                  90
_cell_angle_beta                   102.68
_cell_angle_gamma                  90
_cell_volume                       316.9
_cell_formula_units_Z              2
_symmetry_space_group_name_H-M     'P 1 21/m 1'
_symmetry_Int_Tables_number        11
_symmetry_cell_setting             monoclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,1/2+y,-z'
  '-x,-y,-z'
  'x,1/2-y,z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  K1+    1.000
  S4+    4.000
  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 0.22 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