#------------------------------------------------------------------------------
#$Date: 2015-10-05 16:01:33 +0300 (Mon, 05 Oct 2015) $
#$Revision: 160281 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/38/8103816.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_8103816
loop_
_publ_author_name
'Katzke, H.'
'Schloegl, R.'
_publ_section_title
;
 General structural relationships between rutile-type V O2 and the
 Magneli-phases Vn O2n-1
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              432
_journal_page_last               439
_journal_volume                  218
_journal_year                    2003
_chemical_formula_sum            'O17 V9'
_chemical_name_systematic        'V9 O17'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                39.3
_cell_angle_beta                 74.5
_cell_angle_gamma                108.9
_cell_formula_units_Z            2
_cell_length_a                   5.418
_cell_length_b                   7.009
_cell_length_c                   45.238
_cell_volume                     517.828
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Katzke_ZEKRDZ_2003_1134.cif
_cod_data_source_block           O17V9
_cod_original_cell_volume        517.8281
_cod_database_code               8103816
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
V7 V+3 0 0 0.3812 1 0.0
V5 V+3 0 0 0.2624 1 0.0
V8 V+3 0 0.5 0.3812 1 0.0
O10 O-2 0.3001 0.6002 0.2743 1 0.0
O16 O-2 0.3001 0.5 0.4644 1 0.0
O13 O-2 0.6999 0.3998 0.3694 1 0.0
O15 O-2 0.6999 0.5 0.4169 1 0.0
O8 O-2 0.3001 0.5 0.2268 1 0.0
O1 O-2 0.6999 0.3998 0.013 1 0.0
O9 O-2 0.6999 0.3998 0.2506 1 0.0
O7 O-2 0.6999 0.5 0.1793 1 0.0
O6 O-2 0.3001 0.6002 0.1554 1 0.0
O14 O-2 0.3001 0.6002 0.3931 1 0.0
O5 O-2 0.6999 0.3998 0.1318 1 0.0
O4 O-2 0.3001 0.5 0.108 1 0.0
V6 V+3 0 0.5 0.2624 1 0.0
O2 O-2 0.3001 0.6002 0.0367 1 0.0
V2 V+3 0 0.5 0.0249 1 0.0
V1 V+3 0 0 0.0249 1 0.0
O3 O-2 0.6999 0.5 0.0605 1 0.0
V10 V+3 0 0.5 0.5 1 0.0
V3 V+3 0 0 0.1436 1 0.0
O12 O-2 0.3001 0.5 0.3456 1 0.0
O11 O-2 0.6999 0.5 0.2981 1 0.0
V9 V+3 0 0 0.5 1 0.0
V4 V+3 0 0.5 0.1436 1 0.0
O17 O-2 0.6999 0.3998 0.4882 1 0.0
