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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/1/52/96/1529663.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_1529663
loop_
_publ_author_name
'Bogacz, A.'
'Bros, J.P.'
'Hewat, A.W.'
'Gaune-Escard, M.'
'Taylor, J.C.'
_publ_section_title
;
 New fast-ion conductors from uranium halides - the U Cl6 / Na2 U Br6
 structures
;
_journal_name_full               'Journal of Physics C'
_journal_page_first              5273
_journal_page_last               5278
_journal_volume                  13
_journal_year                    1980
_chemical_formula_sum            'Br6 Na2 U'
_chemical_name_systematic        'Na2 (U Br6)'
_space_group_IT_number           164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   12.4368
_cell_length_b                   12.4368
_cell_length_c                   6.6653
_cell_volume                     892.828
_citation_journal_id_ASTM        JPSOAW
_cod_data_source_file            Bogacz_JPSOAW_1980_624.cif
_cod_data_source_block           Br6Na2U1
_cod_original_cell_volume        892.8276
_cod_original_formula_sum        'Br6 Na2 U1'
_cod_database_code               1529663
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
y,x,-z
-x,-x+y,-z
x-y,-y,-z
-x,-y,-z
y,-x+y,-z
x-y,x,-z
-y,-x,z
x,x-y,z
-x+y,y,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
Br3 Br-1 0.4365 0.873 0.2449 1 0.0
U1 U+4 0 0 0 1 0.0
U2 U+4 0.3333 0.6667 0.4799 1 0.0
Br2 Br-1 0.23 0.46 0.7302 1 0.0
Br1 Br-1 0.1084 0.2168 0.2448 1 0.0
Na1 Na+1 0.3434 0 0 1 0.0
