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#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1008858.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_1008858
_chemical_name_systematic          'Uranium ruthenium silicide (2/2.8/1.2)'
_chemical_formula_structural       'U2 Ru2.83 Si1.17'
_chemical_formula_sum              'Ru2.83 Si1.17 U2'
_publ_section_title
;
Crystal structures and physical properties of some new ternary
compounds U2 T3X (T= Ru, Os; X= Si, Ge)
;
loop_
_publ_author_name
  'Verniere, A'
  'Lejay, P'
  'Bordet, P'
  'Chenavas, J'
  'Brison, J P'
  'Haen, P'
  'Boucherle, J X'
_journal_name_full                 'Journal of Alloys Compd.'
_journal_coden_ASTM                JALCEU
_journal_volume                    209
_journal_year                      1994
_journal_page_first                251
_journal_page_last                 255
_cell_length_a                     5.501(2)
_cell_length_b                     5.501(2)
_cell_length_c                     11.367(3)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  120
_cell_volume                       297.9
_cell_formula_units_Z              3
_symmetry_space_group_name_H-M     'R -3 m H'
_symmetry_Int_Tables_number        166
_symmetry_cell_setting             trigonal
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'
  '-x,-y,-z'
  'y,y-x,-z'
  'x-y,x,-z'
  'y,x,-z'
  '-x,y-x,-z'
  'x-y,-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'
  '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_type_symbol
_atom_type_oxidation_number
  U0     0.000
  Ru0    0.000
  Si0    0.000
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    U0     6 c 0. 0. 0.12290(5) 1.  0 d
  Ru1   Ru0    9 e 0.5 0. 0. 0.943  0 d
  Si1   Si0    9 e 0.5 0. 0. 0.057  0 d
  Si2   Si0    3 b 0. 0. 0.5 1.  0 d
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_22
_atom_site_aniso_U_23
_atom_site_aniso_U_33
  U1    0.0150(6) 0.0075(3) 0. 0.0150(6) 0. 0.0101(4)
  Ru1   0.0112(8) 0.0027(4) 0.0004(2) 0.0054(7) 0.0008(4) 0.0091(4)
  Si1   0.0112(8) 0.0027(4) 0.0004(2) 0.0054(7) 0.0008(4) 0.0091(4)
  Si2   0.022(6) 0.011(3) 0. 0.022(6) 0. 0.018(4)
_refine_ls_R_factor_all            0.021