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#$Date: 2015-07-12 18:52:07 +0300 (Sun, 12 Jul 2015) $
#$Revision: 147262 $
#$URL: svn://www.crystallography.net/cod/cif/4/34/37/4343711.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_4343711
loop_
_publ_author_name
'Gourdon, O.'
'Evain, M.'
'Brec, R.'
'Jobic, S.'
'Koo, H.-J.'
'Whangbo Myunghwan'
'Corraze, B.'
'Chauvet, O.'
_publ_section_title
;
 On the origin of the sqrt(7) X sqrt(7) superstructure and the anomalous
 magnetic and transport properties of the layered compound Sr6 V9 S22 O2
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2898
_journal_page_last               2904
_journal_volume                  40
_journal_year                    2001
_chemical_formula_sum            'O2 S22 Sr6 V9'
_chemical_name_systematic        'Sr6 V9 S22 O2'
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   8.7905
_cell_length_b                   8.7905
_cell_length_c                   34.981
_cell_volume                     2340.939
_citation_journal_id_ASTM        INOCAJ
_cod_data_source_file            Gourdon_INOCAJ_2001_1076.cif
_cod_data_source_block           O2S22Sr6V9
_cod_original_cell_volume        2340.938
_cod_database_code               4343711
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
-x,-y,-z
y,-x+y,-z
x-y,x,-z
x+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
-x+2/3,-y+1/3,-z+1/3
y+2/3,-x+y+1/3,-z+1/3
x-y+2/3,x+1/3,-z+1/3
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
-x+1/3,-y+2/3,-z+2/3
y+1/3,-x+y+2/3,-z+2/3
x-y+1/3,x+2/3,-z+2/3
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
O1 O-2 0 0 0.20276 1 0.0
V2 V+4 0 0 0 1 0.0
S3 S-1 0.6667 0.3333 -0.04329 1 0.0
S2 S-2 0.90278 0.52523 0.040644 1 0.0
S4 S-2 0.01305 0.7746 0.13342 1 0.0
Sr1 Sr+2 0.97851 0.38317 0.111464 1 0.0
V1 V+3 0.85264 0.28757 0.999237 1 0.0
V3 V+4 0 0 0.1528 1 0.0
S1 S-2 0.04665 0.23796 0.03962 1 0.0
S5 S-1 0.3333 0.6667 0.13664 1 0.0
