#------------------------------------------------------------------------------
#$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $
#$Revision: 14 $
#$URL: svn://www.crystallography.net/cod/cif/1/1008816.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_1008816
_chemical_name_systematic
;
Strontium potassium bismuth oxide (0.44/0.56/1/3)
;
_chemical_formula_structural       '(Sr0.44 K0.56) Bi O3'
_chemical_formula_sum              'Bi K.56 O3 Sr.44'
_publ_section_title
;
Discovery of a second family of bismuth-oxide-based superconductors
;
loop_
_publ_author_name
  'Kazakov, S M'
  'Chaillout, C'
  'Bordet, P'
  'Capponi, J J'
  'Nunez-Regueiro, M'
  'Rysak, A'
  'Tholence, J L'
  'Radaelli, P G'
  'Putilin, S N'
  'Antipov, E V'
_journal_name_full                 'Nature (London)'
_journal_coden_ASTM                NATUAS
_journal_volume                    390
_journal_year                      1997
_journal_page_first                148
_journal_page_last                 150
_cell_length_a                     5.9416(2)
_cell_length_b                     5.9416(2)
_cell_length_c                     8.4394(4)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       297.9
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'I 4/m c m'
_symmetry_Int_Tables_number        140
_symmetry_cell_setting             tetragonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,z'
  'x,-y,1/2+z'
  '-x,y,1/2+z'
  '-y,x,z'
  'y,-x,z'
  'y,x,1/2+z'
  '-y,-x,1/2+z'
  '-x,-y,-z'
  'x,y,-z'
  '-x,y,1/2-z'
  'x,-y,1/2-z'
  'y,-x,-z'
  '-y,x,-z'
  '-y,-x,1/2-z'
  'y,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,z'
  '1/2-x,1/2+y,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,z'
  '1/2-y,1/2-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,-z'
  '1/2+x,1/2-y,-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,-z'
  '1/2+y,1/2+x,-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Sr2+   2.000
  K1+    1.000
  Bi5+   4.560
  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+   4 b 0. 0.5 0.75 0.44(2)  0 d
  K1    K1+    4 b 0. 0.5 0.75 0.56(2)  0 d
  Bi1   Bi5+   4 c 0. 0. 0. 1.  0 d
  O1    O2-    4 a 0. 0. 0.25 1.  0 d
  O2    O2-    8 h 0.2219(5) 0.7219(5) 0. 1.  0 d
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_22
_atom_site_aniso_U_23
_atom_site_aniso_U_33
  O1    0.033(3) 0. 0. 0.033(3) 0. 0.009(2)
  O2    0.011(1) 0. 0. 0.011(3) 0. 0.060(3)
_refine_ls_R_factor_all            0.082