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#$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1008322.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_1008322
_chemical_name_systematic          'Potassium manganese oxide (1.33/8/16)'
_chemical_formula_structural       'K1.33 Mn8 O16'
_chemical_formula_sum              'K1.33 Mn8 O16'
_publ_section_title
;
The Structure of K~1.33~ Mn~8~ O~16~ and Cation Ordering in Hollandite-
Type Structures
;
loop_
_publ_author_name
  'Vicat, J'
  'Fanchon, E'
  'Strobel, P'
  'Tran=Qui, D'
_journal_name_full                 'Acta Crystallographica B (39,1983-)'
_journal_coden_ASTM                ASBSDK
_journal_volume                    42
_journal_year                      1986
_journal_page_first                162
_journal_page_last                 167
_cell_length_a                     9.866(3)
_cell_length_b                     9.866(3)
_cell_length_c                     2.872(1)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       279.6
_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
  Mn4+   3.837
  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+    4 e 0. 0. 0.3754(12) 0.3333  0 d
  Mn1   Mn4+   8 h 0.34891(3) 0.16621(2) 0. 1.  0 d
  O1    O2-    8 h 0.15445(17) 0.20295(17) 0. 1.  0 d
  O2    O2-    8 h 0.54206(17) 0.16496(18) 0. 1.  0 d
_refine_ls_R_factor_all            0.019
_cod_database_code 1008322