#------------------------------------------------------------------------------
#$Date: 2024-05-23 12:45:01 +0300 (Thu, 23 May 2024) $
#$Revision: 292002 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/50/9015098.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# 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_9015098
loop_
_publ_author_name
'Labeau, M.'
'Grey, I. E.'
'Coubert, J. C.'
'Chenevas, J.'
'Collomb, A.'
'Guitel, J. C.'
_publ_section_title
;
 The structure of the a-cation deficient Perovskite U Nb4 O12
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              33
_journal_page_last               41
_journal_paper_doi               10.1107/S0108768185001549
_journal_volume                  41
_journal_year                    1985
_chemical_formula_sum            'Nb8 O24 U2.05'
_space_group_IT_number           71
_symmetry_space_group_name_Hall  '-I 2 2'
_symmetry_space_group_name_H-M   'I m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   15.424
_cell_length_b                   7.712
_cell_length_c                   15.592
_cell_formula_units_Z            4
_cell_volume                     1854.667
_database_code_amcsd             0016202
_exptl_crystal_density_diffrn    5.785
_cod_duplicate_entry             1008280
_cod_original_formula_sum        'U2.05 Nb8 O24'
_cod_database_code               9015098
_amcsd_formula_title             'Nb4 O12 U'
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,1/2+z
x,-y,z
1/2+x,1/2-y,1/2+z
-x,y,-z
1/2-x,1/2+y,1/2-z
-x,y,z
1/2-x,1/2+y,1/2+z
x,-y,-z
1/2+x,1/2-y,1/2-z
x,y,-z
1/2+x,1/2+y,1/2-z
-x,-y,z
1/2-x,1/2-y,1/2+z
-x,-y,-z
1/2-x,1/2-y,1/2-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
U1 0.00000 0.00000 0.00000 0.88000
U2 0.00000 0.50000 0.00000 0.96000
U3 0.25910 0.00000 0.00000 0.55000
U4 0.25760 0.50000 0.00000 0.46000
U5 0.49000 0.00000 0.00000 0.06000
U6 0.48600 0.50000 0.00000 0.06000
Nb1 0.12570 0.25210 0.13520 1.00000
Nb2 0.38030 0.26400 0.12510 1.00000
O1 0.38400 0.00000 0.09800 1.00000
O2 0.14900 0.00000 0.36400 1.00000
O3 0.09300 0.00000 0.13600 1.00000
O4 0.36900 0.00000 0.40400 1.00000
O5 0.36200 0.28500 0.00000 1.00000
O6 0.00000 0.22700 0.39100 1.00000
O7 0.13500 0.18500 0.00000 1.00000
O8 0.00000 0.28700 0.10000 1.00000
O9 0.24700 0.21400 0.13100 1.00000
O10 0.13700 0.29100 0.25300 1.00000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0016202
