#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1008071.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_1008071
_chemical_name_systematic          'Uranium(IV) iodide'
_chemical_formula_structural       'U I4'
_chemical_formula_sum              'I4 U'
_publ_section_title
;
Crystal Structure of Uranium(IV) Tetraiodide by X-ray and Neutron
Diffraction
;
loop_
_publ_author_name
  'Levy, J H'
  'Taylor, J C'
  'Waugh, A B'
_journal_name_full                 'Inorganic Chemistry'
_journal_coden_ASTM                INOCAJ
_journal_volume                    19
_journal_year                      1980
_journal_page_first                672
_journal_page_last                 674
_cell_length_a                     13.967(6)
_cell_length_b                     8.472(4)
_cell_length_c                     7.510(3)
_cell_angle_alpha                  90
_cell_angle_beta                   90.54(5)
_cell_angle_gamma                  90
_cell_volume                       888.6
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'C 1 2/c 1'
_symmetry_Int_Tables_number        15
_symmetry_cell_setting             monoclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,y,1/2-z'
  '-x,-y,-z'
  'x,-y,1/2+z'
  '1/2+x,1/2+y,z'
  '1/2-x,1/2+y,1/2-z'
  '1/2-x,1/2-y,-z'
  '1/2+x,1/2-y,1/2+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  U4+    4.000
  I1-   -1.000
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    U4+    4 e 0. 0.152(2) 0.25 1.  0 d
  I1    I1-    8 f 0.123(1) 0.118(2) -0.086(2) 1.  0 d
  I2    I1-    8 f -0.134(1) 0.382(3) 0.100(2) 1.  0 d
_refine_ls_R_factor_all            0.129