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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/41/1534146.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_1534146
loop_
_publ_author_name
'Alekseev, E.V.'
'Suleimanov, E.V.'
'Fukin, G.K.'
'Chuprunov, E.V.'
_publ_section_title
;
 The crystal structure of Ba (V U O6)2
;
_journal_name_full
'Zhurnal Strukturnoi Khimii (Issue-No. from 1981)'
_journal_page_first              544
_journal_page_last               548
_journal_volume                  45
_journal_year                    2004
_chemical_formula_sum            'Ba O12 U2 V2'
_chemical_name_systematic        'Ba (V U O6)2'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 104.749
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.4992
_cell_length_b                   8.3803
_cell_length_c                   10.4235
_cell_volume                     549.012
_citation_journal_id_ASTM        ZSTKAI
_cod_data_source_file            Alekseev_ZSTKAI_2004_547.cif
_cod_data_source_block           Ba1O12U2V2
_cod_original_cell_volume        549.0123
_cod_original_formula_sum        'Ba1 O12 U2 V2'
_cod_database_code               1534146
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-z
x,-y-1/2,z-1/2
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 0.254 -0.021 0.2327 1 0.0
O6 O-2 -0.049 0.44 -0.1075 1 0.0
U1 U+6 -0.0171 0.0221 0.1799 1 0.0
O4 O-2 0.034 0.153 -0.0068 1 0.0
V1 V+5 0.1188 0.3512 0.0537 1 0.0
O5 O-2 0.361 0.361 0.059 1 0.0
O1 O-2 -0.289 0.067 0.122 1 0.0
O3 O-2 0.095 0.293 0.2189 1 0.0
Ba1 Ba+2 0.534 0.2286 0.3531 0.5 0.0
