The compound described by U2Ti3Si4 crystallizes in the monoclinic P2_1/c space group. U(1) is bonded in a 8-coordinate geometry to one U(1), three equivalent Si(1), and four equivalent Si(2) atoms. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 6-coordinate geometry to three equivalent Si(1) and three equivalent Si(2) atoms. In the second Ti site, Ti(2) is bonded to two equivalent Si(2) and four equivalent Si(1) atoms to form corner-sharing TiSi6 octahedra. The corner-sharing octahedral tilt angles are 51°. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to three equivalent U(1), two equivalent Ti(2), three equivalent Ti(1), and one Si(1) atom. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to four equivalent U(1), one Ti(2), three equivalent Ti(1), and one Si(2) atom. is represented by the CIF file [CIF]
data_U2Ti3Si4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.852
_cell_length_b   6.866
_cell_length_c   6.971
_cell_angle_alpha   69.341
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   306.895
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  U  U0  1  0.630  0.152  0.449  1.0
  U  U1  1  0.130  0.848  0.051  1.0
  U  U2  1  0.370  0.848  0.551  1.0
  U  U3  1  0.870  0.152  0.949  1.0
  Ti  Ti4  1  0.684  0.746  0.251  1.0
  Ti  Ti5  1  0.184  0.254  0.249  1.0
  Ti  Ti6  1  0.500  0.500  0.000  1.0
  Ti  Ti7  1  0.000  0.500  0.500  1.0
  Ti  Ti8  1  0.316  0.254  0.749  1.0
  Ti  Ti9  1  0.816  0.746  0.751  1.0
  Si  Si10  1  0.866  0.476  0.139  1.0
  Si  Si11  1  0.366  0.524  0.361  1.0
  Si  Si12  1  0.134  0.524  0.861  1.0
  Si  Si13  1  0.634  0.476  0.639  1.0
  Si  Si14  1  0.536  0.913  0.883  1.0
  Si  Si15  1  0.036  0.087  0.617  1.0
  Si  Si16  1  0.964  0.913  0.383  1.0
  Si  Si17  1  0.464  0.087  0.117  1.0
[/CIF]
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The compound described by U2Ti3Si4 crystallizes in the monoclinic P2_1/c space group. U(1) is bonded in a 8-coordinate geometry to one U(1), three equivalent Si(1), and four equivalent Si(2) atoms. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 6-coordinate geometry to three equivalent Si(1) and three equivalent Si(2) atoms. In the second Ti site, Ti(2) is bonded to two equivalent Si(2) and four equivalent Si(1) atoms to form corner-sharing TiSi6 octahedra. The corner-sharing octahedral tilt angles are 51°. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to three equivalent U(1), two equivalent Ti(2), three equivalent Ti(1), and one Si(1) atom. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to four equivalent U(1), one Ti(2), three equivalent Ti(1), and one Si(2) atom. is represented by the CIF file [CIF]
data_U2Ti3Si4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.852
_cell_length_b   6.866
_cell_length_c   6.971
_cell_angle_alpha   69.341
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   306.895
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  U  U0  1  0.630  0.152  0.449  1.0
  U  U1  1  0.130  0.848  0.051  1.0
  U  U2  1  0.370  0.848  0.551  1.0
  U  U3  1  0.870  0.152  0.949  1.0
  Ti  Ti4  1  0.684  0.746  0.251  1.0
  Ti  Ti5  1  0.184  0.254  0.249  1.0
  Ti  Ti6  1  0.500  0.500  0.000  1.0
  Ti  Ti7  1  0.000  0.500  0.500  1.0
  Ti  Ti8  1  0.316  0.254  0.749  1.0
  Ti  Ti9  1  0.816  0.746  0.751  1.0
  Si  Si10  1  0.866  0.476  0.139  1.0
  Si  Si11  1  0.366  0.524  0.361  1.0
  Si  Si12  1  0.134  0.524  0.861  1.0
  Si  Si13  1  0.634  0.476  0.639  1.0
  Si  Si14  1  0.536  0.913  0.883  1.0
  Si  Si15  1  0.036  0.087  0.617  1.0
  Si  Si16  1  0.964  0.913  0.383  1.0
  Si  Si17  1  0.464  0.087  0.117  1.0
[/CIF]
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