#------------------------------------------------------------------------------
#$Date: 2017-11-18 05:14:46 +0200 (Sat, 18 Nov 2017) $
#$Revision: 203327 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/10/09/2100979.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2100979
loop_
_publ_author_name
'Wolf, M.'
'Wendsjö, Å.'
'Thomas, J. O.'
'Barrie, J. D.'
_publ_section_title
;
 Structure of the luminescent system Na⁺/UO₂⁺ β''-alumina
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              610
_journal_page_last               614
_journal_paper_doi               10.1107/S0108768193000928
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         '(UO2)yNa1+x-2yMgxAl11-xO17 (x=2/3,y=0.10)'
_chemical_formula_sum            'Al11 Mg Na O19 U2'
_space_group_crystal_system      trigonal
_space_group_IT_number           166
_space_group_name_Hall           '-R 3 2"'
_space_group_name_H-M_alt        'R -3 m :H'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                120.0
_cell_formula_units_Z            3
_cell_length_a                   5.6206(3)
_cell_length_b                   5.6206(3)
_cell_length_c                   33.703(5)
_cell_volume                     922.07(15)
_diffrn_radiation_type           molybdenum
_diffrn_radiation_wavelength     .71073
_exptl_crystal_density_diffrn    3.39
_cod_data_source_file            ab0295.cif
_cod_data_source_block           ab0295a
_cod_depositor_comments
;
 Correcting the space group by changing it from '-P 3* 2' to '-R 3 2"'
 after consulting the original publication.

 Antanas Vaitkus,
 2017-11-18
;
_cod_original_cell_volume        922.07(2)
_cod_original_sg_symbol_Hall     '-P 3* 2'
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_original_formula_sum        'Al11 Mg1 Na1 O19 U2'
_cod_database_code               2100979
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -y,x-y,z
3 -x+y,-x,z
4 y,x,-z
5 -x,-x+y,-z
6 x-y,-y,-z
7 -x,-y,-z
8 y,-x+y,-z
9 x-y,x,-z
10 -y,-x,z
11 x,x-y,z
12 -x+y,y,z
13 x+2/3,y+1/3,z+1/3
14 -y+2/3,x-y+1/3,z+1/3
15 -x+y+2/3,-x+1/3,z+1/3
16 y+2/3,x+1/3,-z+1/3
17 -x+2/3,-x+y+1/3,-z+1/3
18 x-y+2/3,-y+1/3,-z+1/3
19 -x+2/3,-y+1/3,-z+1/3
20 y+2/3,-x+y+1/3,-z+1/3
21 x-y+2/3,x+1/3,-z+1/3
22 -y+2/3,-x+1/3,z+1/3
23 x+2/3,x-y+1/3,z+1/3
24 -x+y+2/3,y+1/3,z+1/3
25 x+1/3,y+2/3,z+2/3
26 -y+1/3,x-y+2/3,z+2/3
27 -x+y+1/3,-x+2/3,z+2/3
28 y+1/3,x+2/3,-z+2/3
29 -x+1/3,-x+y+2/3,-z+2/3
30 x-y+1/3,-y+2/3,-z+2/3
31 -x+1/3,-y+2/3,-z+2/3
32 y+1/3,-x+y+2/3,-z+2/3
33 x-y+1/3,x+2/3,-z+2/3
34 -y+1/3,-x+2/3,z+2/3
35 x+1/3,x-y+2/3,z+2/3
36 -x+y+1/3,y+2/3,z+2/3
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
U -.0672(4) -.0336 .17210(5) .0098
O(6) -.0672(4) .2689(2) .17210(4) .0098
Na(BR) .0 .0 .166(2) .259
Na(2) .141(2) .0705 .17070(10) .146
Al(1) .0 .0 .0 .0043
Al(2) .0 .0 .350170(10) .0051
Al(3) .33429(3) .167145 .070940(10) .0048
Al(4) .0 .0 .449990(10) .0042
O(1) .15391(4) .30782(4) .034310(10) .0072
O(2) .0 .0 .29513(2) .0062
O(3) .0 .0 .09706(2) .0061
O(4) .16331(4) .32662 .235210(10) .0060
O(5) .291(4) .6666 .16666 .0241
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
U O(6) 1.700
U O(5) 2.72(4)
U O(4) 2.473(2)
U O(3) 2.550(2)
Na(BR) O(5) 3.04(4)
Na(BR) O(4) 2.81(4)
Na(BR) O(3) 2.34(5)
Na(2) O(5) 2.74(4)
Na(2) O(4) 2.575(3)
Na(2) O(3) 2.576(5)
