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#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/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
loop_
_publ_author_name
'Djafri, F'
'Canonne, J'
'Abraham, F'
'Thomas, D'
_publ_section_title
;
Insertion de lithium dans la phase de structure Hollandite: Kₓ Ru₈
O₁₆ (x=1.5)
;
_journal_coden_ASTM              JCOMAH
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              323
_journal_page_last               329
_journal_paper_doi               10.1016/0022-5088(85)90063-3
_journal_volume                  109
_journal_year                    1985
_chemical_formula_structural     'K2 Ru8 O16'
_chemical_formula_sum            'K2 O16 Ru8'
_chemical_name_systematic        'Potassium Ruthenium oxide (2/8/16)'
_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(4)
_cell_length_b                   9.866(4)
_cell_length_c                   3.131(2)
_cell_volume                     304.8
_refine_ls_R_factor_all          0.026
_cod_database_code               1004080
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+ 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
loop_
_atom_type_symbol
_atom_type_oxidation_number
K1+ 1.000
Ru4+ 3.750
O2- -2.000
