#------------------------------------------------------------------------------
#$Date: 2015-09-28 11:12:49 +0100 (Mon, 28 Sep 2015) $
#$Revision: 158544 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/26/1532603.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_1532603
loop_
_publ_author_name
'Iwasaki, K.'
'Takizawa, H.'
'Yamane, H.'
'Kubota, S.'
'Takahashi, J.'
'Endo, T.'
'Uheda, K.'
_publ_section_title
;
 Synthesis, crystal structure refinement, electrical and magnetic
 properties of Ba V13 O18 and Sr V13 O18
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              141
_journal_page_last               148
_journal_volume                  38
_journal_year                    2003
_chemical_formula_sum            'Ba O18 V13'
_chemical_name_systematic        'Ba V13 O18'
_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                   12.6293
_cell_length_b                   12.6293
_cell_length_c                   7.0121
_cell_volume                     968.584
_citation_journal_id_ASTM        MRBUAC
_cod_data_source_file            Iwasaki_MRBUAC_2003_523.cif
_cod_data_source_block           Ba1O18V13
_cod_chemical_formula_sum_orig   'Ba1 O18 V13'
_cod_database_code               1532603
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
O2 O-2 0.2404 0.4125 0.662 1 0.0
O3 O-2 0.9573 0.2512 0.654 1 0.0
Ba1 Ba+2 0 0 0 1 0.0
O1 O-2 0.1386 0.0146 0.335 1 0.0
V1 V+2 0 0 0.5 1 0.0
V3 V+2 0.1076 0.2643 0.5108 1 0.0
V2 V+2 0.2289 0.2831 0.8372 1 0.0