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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/38/8103812.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_8103812
loop_
_publ_author_name
'Hoeche, T.'
'Esmaeilzadeh, S.'
'Withers, R.L.'
'Schirmer, H.'
_publ_section_title
;
 Structural studies on the fresnoite type compound Ba2 V Si2 O8
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              788
_journal_page_last               794
_journal_volume                  218
_journal_year                    2003
_chemical_formula_sum            'Ba2 O8 Si2 V'
_chemical_name_systematic        'Ba2 (V Si2 O8)'
_space_group_IT_number           100
_symmetry_space_group_name_Hall  'P 4 -2ab'
_symmetry_space_group_name_H-M   'P 4 b m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.483
_cell_length_b                   8.483
_cell_length_c                   5.25
_cell_volume                     377.797
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Hoeche_ZEKRDZ_2003_1144.cif
_cod_data_source_block           Ba2O8Si2V1
_cod_original_cell_volume        377.7968
_cod_original_formula_sum        'Ba2 O8 Si2 V1'
_cod_database_code               8103812
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
-x+1/2,y+1/2,z
-y+1/2,-x+1/2,z
x+1/2,-y+1/2,z
y+1/2,x+1/2,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
O1 O-2 0 0.5 0.636 1 0.0
O4 O-2 0 0 0.221 1 0.0
Ba1 Ba+2 0.32861 0.82861 0 1 0.0
Si1 Si+4 0.1296 0.6296 0.5196 1 0.0
O2 O-2 0.128 0.628 0.2136 1 0.0
O3 O-2 0.2935 0.5776 0.6529 1 0.0
V1 V+4 0 0 0.5377 1 0.0
