#------------------------------------------------------------------------------
#$Date: 2015-09-17 23:12:34 +0200 (jue 17 de sep de 2015) $
#$Revision: 157105 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/16/1531603.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_1531603
loop_
_publ_author_name
'Iwasaki, K.'
'Takizawa, H.'
'Yamane, H.'
'Takahashi, J.'
'Kubota, S.'
'Shimada, M.'
'Uheda, K.'
'Endo, T.'
_publ_section_title
;
 Synthesis, crystal structure and electrical properties of Ba2 Nb5-x Vx O9
 (x < 1.9)
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              268
_journal_page_last               274
_journal_volume                  339
_journal_year                    2002
_chemical_formula_sum            'Ba2 Nb3.5 O9 V1.5'
_chemical_name_systematic        'Ba2 Nb (Nb2.5 V1.5) O9'
_space_group_IT_number           123
_symmetry_space_group_name_Hall  '-P 4 2'
_symmetry_space_group_name_H-M   'P 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   4.1166
_cell_length_b                   4.1166
_cell_length_c                   12.1405
_cell_volume                     205.738
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Iwasaki_JALCEU_2002_494.cif
_cod_data_source_block           Ba2Nb3.5O9V1.5
_cod_original_cell_volume        205.7377
_cod_database_code               1531603
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
x,-y,-z
y,x,-z
-x,y,-z
-y,-x,-z
-x,-y,-z
y,-x,-z
x,y,-z
-y,x,-z
-x,y,z
-y,-x,z
x,-y,z
y,x,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
V2 V+3 0.5 0.5 0.3394 0.318 0.0
O4 O-2 0.5 0 0 1 0.0
O2 O-2 0.5 0 0.3396 1 0.0
Ba1 Ba+2 0 0 0.171 1 0.0
Nb3 Nb+4 0.5 0.5 0 1 0.0
O1 O-2 0 0 0.5 1 0.0
O3 O-2 0.5 0.5 0.1638 1 0.0
V1 V+2 0 0.5 0.5 0.432 0.0
Nb1 Nb+2 0 0.5 0.5 0.568 0.0
Nb2 Nb+3 0.5 0.5 0.3394 0.682 0.0
