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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/1/53/38/1533800.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_1533800
loop_
_publ_author_name
'Van den Berghe, S.'
'Leenaers, A.'
'Ritter, C.'
_publ_section_title
;
 Antiferromagnetism in M U O3 (M= Na, K, Rb) studied by neutron
 diffraction
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              2231
_journal_page_last               2236
_journal_volume                  177
_journal_year                    2004
_chemical_formula_sum            'Na O3 U'
_chemical_name_systematic        'Na (U O3)'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.7739
_cell_length_b                   5.9051
_cell_length_c                   8.2784
_cell_volume                     282.256
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            VandenBerghe_JSSCBI_2004_1756.cif
_cod_data_source_block           Na1O3U1
_cod_original_cell_volume        282.2558
_cod_original_sg_symbol_Hall     '-P 2ac 2n (z,x,y)'
_cod_original_formula_sum        'Na1 O3 U1'
_cod_database_code               1533800
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-z+1/2
-x,-y,z+1/2
-x,-y,-z
-x-1/2,y-1/2,z
x-1/2,-y-1/2,z-1/2
x,y,-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 0.6982 0.2984 0.0502 1 0.0
U1 U+5 0.5 0 0 1 0.0
Na1 Na+1 -0.0075 0.0306 0.25 1 0.0
O1 O-2 0.0959 0.4671 0.25 1 0.0
