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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/1/1009011.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_1009011
_chemical_name_systematic
;
Strontium potassium dibismuthate (1.6/1.4/1)
;
_chemical_formula_structural       'Sr (Sr0.6 K1.4) (Bi2 O7)'
_chemical_formula_sum              'Bi2 K1.4 O7 Sr1.6'
_publ_section_title
;
A new layered bismuthate (Sr,K)3 Bi2 O7: synthesis and crystal structure
;
loop_
_publ_author_name
  'Pshirkov, J S'
  'Kazakov, S M'
  'Bougerol-Chaillout, C'
  'Bordet, P'
  'Capponi, J J'
  'Putilin, S N'
  'Antipov, E V'
_journal_name_full                 'Journal of Solid State Chemistry'
_journal_coden_ASTM                JSSCBI
_journal_volume                    144
_journal_year                      1999
_journal_page_first                405
_journal_page_last                 408
_cell_length_a                     4.1549(1)
_cell_length_b                     4.1549(1)
_cell_length_c                     21.82729(60)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       376.8
_cell_formula_units_Z              2
_symmetry_space_group_name_H-M     'I 4/m m m'
_symmetry_Int_Tables_number        139
_symmetry_cell_setting             tetragonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,z'
  '-x,y,z'
  'x,-y,z'
  '-y,x,z'
  'y,-x,z'
  'y,x,z'
  '-y,-x,z'
  '-x,-y,-z'
  'x,y,-z'
  'x,-y,-z'
  '-x,y,-z'
  'y,-x,-z'
  '-y,x,-z'
  '-y,-x,-z'
  'y,x,-z'
  '1/2+x,1/2+y,1/2+z'
  '1/2-x,1/2-y,1/2+z'
  '1/2-x,1/2+y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '1/2-y,1/2+x,1/2+z'
  '1/2+y,1/2-x,1/2+z'
  '1/2+y,1/2+x,1/2+z'
  '1/2-y,1/2-x,1/2+z'
  '1/2-x,1/2-y,1/2-z'
  '1/2+x,1/2+y,1/2-z'
  '1/2+x,1/2-y,1/2-z'
  '1/2-x,1/2+y,1/2-z'
  '1/2+y,1/2-x,1/2-z'
  '1/2-y,1/2+x,1/2-z'
  '1/2-y,1/2-x,1/2-z'
  '1/2+y,1/2+x,1/2-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Sr2+   2.000
  K1+    1.000
  Bi5+   4.700
  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
  Sr1   Sr2+   2 b 0. 0. 0.5 1.  0 d
  Sr2   Sr2+   4 e 0. 0. 0.3066(3) 0.30(1)  0 d
  K1    K1+    4 e 0. 0. 0.3066(3) 0.70(1)  0 d
  Bi1   Bi5+   4 e 0. 0. 0.0987(1) 1.  0 d
  O1    O2-    2 a 0. 0. 0. 1.  0 d
  O2    O2-    8 g 0. 0.5 0.0850(7) 1.  0 d
  O3    O2-    4 e 0. 0. 0.193(1) 1.  0 d
_refine_ls_R_factor_all            0.033