#------------------------------------------------------------------------------
#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/1/00/83/1008322.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
loop_
_publ_author_name
'Vicat, J'
'Fanchon, E'
'Strobel, P'
'Tran Qui, D'
_publ_section_title
;
The Structure of K~1.33~ Mn₈ O₁₆ and Cation Ordering in Hollandite-
Type Structures
;
_journal_coden_ASTM              ASBSDK
_journal_name_full               'Acta Crystallographica B (39,1983-)'
_journal_page_first              162
_journal_page_last               167
_journal_volume                  42
_journal_year                    1986
_chemical_formula_structural     'K1.33 Mn8 O16'
_chemical_formula_sum            'K1.33 Mn8 O16'
_chemical_name_systematic        'Potassium manganese oxide (1.33/8/16)'
_space_group_IT_number           87
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      87
_symmetry_space_group_name_Hall  '-I 4'
_symmetry_space_group_name_H-M   'I 4/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   9.866(3)
_cell_length_b                   9.866(3)
_cell_length_c                   2.872(1)
_cell_volume                     279.6
_refine_ls_R_factor_all          0.019
_cod_database_code               1008322
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_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
loop_
_atom_type_symbol
_atom_type_oxidation_number
K1+ 1.000
Mn4+ 3.837
O2- -2.000
