#------------------------------------------------------------------------------
#$Date: 2012-02-28 14:14:52 +0200 (Tue, 28 Feb 2012) $
#$Revision: 35911 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/00/40/1004080.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_1004080
_chemical_name_systematic          'Potassium Ruthenium oxide (2/8/16)'
_chemical_formula_structural       'K2 Ru8 O16'
_chemical_formula_sum              'K2 O16 Ru8'
_publ_section_title
;
Insertion de lithium dans la phase de structure Hollandite: K~x~ Ru~8~
O~16~ (x=1.5)
;
loop_
_publ_author_name
  'Djafri, F'
  'Canonne, J'
  'Abraham, F'
  'Thomas, D'
_journal_name_full                 'Journal of the Less-Common Metals'
_journal_coden_ASTM                JCOMAH
_journal_volume                    109
_journal_year                      1985
_journal_page_first                323
_journal_page_last                 329
_cell_length_a                     9.866(4)
_cell_length_b                     9.866(4)
_cell_length_c                     3.131(2)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       304.8
_cell_formula_units_Z              1
_symmetry_space_group_name_H-M     'I 4/m'
_symmetry_Int_Tables_number        87
_symmetry_cell_setting             tetragonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,z'
  '-y,x,z'
  'y,-x,z'
  '-x,-y,-z'
  'x,y,-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-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+y,1/2-x,1/2-z'
  '1/2-y,1/2+x,1/2-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  K1+    1.000
  Ru4+   3.750
  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 b 0. 0. 0.5 1.  0 d
  Ru1   Ru4+   8 h 0.35023(3) 0.16757(3) 0. 1.  0 d
  O1    O2-    8 h 0.149070(35) 0.19834(35) 0. 1.  0 d
  O2    O2-    8 h 0.54518(33) 0.15802(35) 0. 1.  0 d
_refine_ls_R_factor_all            0.026
_cod_database_code 1004080