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#$Date: 2017-09-03 03:17:11 +0300 (Sun, 03 Sep 2017) $
#$Revision: 200139 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/00/82/1008255.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_1008255
loop_
_publ_author_name
'Levy, J. H.'
'Taylor, J. C.'
'Wilson, P. W.'
_publ_section_title
;
 The structures of fluorides-XVII: neutron diffraction study of α-uranium
 oxide tetrafluoride
;
_journal_coden_ASTM              JINCAO
_journal_issue                   11
_journal_name_full               'Journal of Inorganic and Nuclear Chemistry'
_journal_page_first              1989
_journal_page_last               1991
_journal_paper_doi               10.1016/0022-1902(77)80531-9
_journal_volume                  39
_journal_year                    1977
_chemical_formula_structural     'U O F4'
_chemical_formula_sum            'F4 O U'
_chemical_name_systematic        'Uranium(VI) oxide tetrafluoride - α'
_space_group_IT_number           160
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  'R 3 -2"'
_symmetry_space_group_name_H-M   'R 3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            9
_cell_length_a                   13.095(6)
_cell_length_b                   13.095(6)
_cell_length_c                   5.658(2)
_cell_volume                     840.2
_refine_ls_R_factor_all          0.15
_cod_original_sg_symbol_H-M      'R 3 m H'
_cod_database_code               1008255
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
y-x,-x,z
-y,-x,z
x,x-y,z
y-x,y,z
1/3+x,2/3+y,2/3+z
2/3+x,1/3+y,1/3+z
1/3-y,2/3+x-y,2/3+z
2/3-y,1/3+x-y,1/3+z
1/3-x+y,2/3-x,2/3+z
2/3-x+y,1/3-x,1/3+z
1/3-y,2/3-x,2/3+z
2/3-y,1/3-x,1/3+z
1/3+x,2/3+x-y,2/3+z
2/3+x,1/3+x-y,1/3+z
1/3-x+y,2/3+y,2/3+z
2/3-x+y,1/3+y,1/3+z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
U1 U6+ 9 b 0.8623(4) -0.8623(4) 0. 1. 0 d
O1 O2- 9 b 0.4666(6) -0.4666(6) 0.1226(34) 1. 0 d
F1 F1- 9 b 0.5912(5) -0.5912(5) 0.5490(31) 1. 0 d
F2 F1- 18 c 0.0445(9) 0.7589(10) 0.9146(27) 1. 0 d
F3 F1- 9 b 0.2514(7) -0.2514(7) 0.3862(42) 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
U6+ 6.000
O2- -2.000
F1- -1.000
