The compound described by U3TiGe5 crystallizes in the hexagonal P6_3/mcm space group. U(1) is bonded in a 9-coordinate geometry to four equivalent Ge(2) and five equivalent Ge(1) atoms. Ti(1) is bonded to six equivalent Ge(1) atoms to form face-sharing TiGe6 octahedra. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded to five equivalent U(1) and two equivalent Ti(1) atoms to form a mixture of distorted edge, face, and corner-sharing GeU5Ti2 pentagonal bipyramids. In the second Ge site, Ge(2) is bonded in a 8-coordinate geometry to six equivalent U(1) and two equivalent Ge(2) atoms. is represented by the CIF card [CIF]
data_U3TiGe5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.570
_cell_length_b   8.570
_cell_length_c   5.728
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.997
_symmetry_Int_Tables_number   1
_cell_volume   364.356
_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  0.614  1.000  0.250  1.0
  U  U1  1  0.614  0.614  0.750  1.0
  U  U2  1  0.000  0.386  0.750  1.0
  U  U3  1  1.000  0.614  0.250  1.0
  U  U4  1  0.386  0.386  0.250  1.0
  U  U5  1  0.386  0.000  0.750  1.0
  Ti  Ti6  1  1.000  1.000  1.000  1.0
  Ti  Ti7  1  1.000  1.000  0.500  1.0
  Ge  Ge8  1  0.261  1.000  0.250  1.0
  Ge  Ge9  1  0.261  0.261  0.750  1.0
  Ge  Ge10  1  0.000  0.739  0.750  1.0
  Ge  Ge11  1  1.000  0.261  0.250  1.0
  Ge  Ge12  1  0.739  0.739  0.250  1.0
  Ge  Ge13  1  0.739  0.000  0.750  1.0
  Ge  Ge14  1  0.333  0.667  1.000  1.0
  Ge  Ge15  1  0.667  0.333  0.500  1.0
  Ge  Ge16  1  0.667  0.333  1.000  1.0
  Ge  Ge17  1  0.333  0.667  0.500  1.0
[/CIF]
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The compound described by U3TiGe5 crystallizes in the hexagonal P6_3/mcm space group. U(1) is bonded in a 9-coordinate geometry to four equivalent Ge(2) and five equivalent Ge(1) atoms. Ti(1) is bonded to six equivalent Ge(1) atoms to form face-sharing TiGe6 octahedra. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded to five equivalent U(1) and two equivalent Ti(1) atoms to form a mixture of distorted edge, face, and corner-sharing GeU5Ti2 pentagonal bipyramids. In the second Ge site, Ge(2) is bonded in a 8-coordinate geometry to six equivalent U(1) and two equivalent Ge(2) atoms. is represented by the CIF card [CIF]
data_U3TiGe5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.570
_cell_length_b   8.570
_cell_length_c   5.728
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.997
_symmetry_Int_Tables_number   1
_cell_volume   364.356
_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  0.614  1.000  0.250  1.0
  U  U1  1  0.614  0.614  0.750  1.0
  U  U2  1  0.000  0.386  0.750  1.0
  U  U3  1  1.000  0.614  0.250  1.0
  U  U4  1  0.386  0.386  0.250  1.0
  U  U5  1  0.386  0.000  0.750  1.0
  Ti  Ti6  1  1.000  1.000  1.000  1.0
  Ti  Ti7  1  1.000  1.000  0.500  1.0
  Ge  Ge8  1  0.261  1.000  0.250  1.0
  Ge  Ge9  1  0.261  0.261  0.750  1.0
  Ge  Ge10  1  0.000  0.739  0.750  1.0
  Ge  Ge11  1  1.000  0.261  0.250  1.0
  Ge  Ge12  1  0.739  0.739  0.250  1.0
  Ge  Ge13  1  0.739  0.000  0.750  1.0
  Ge  Ge14  1  0.333  0.667  1.000  1.0
  Ge  Ge15  1  0.667  0.333  0.500  1.0
  Ge  Ge16  1  0.667  0.333  1.000  1.0
  Ge  Ge17  1  0.333  0.667  0.500  1.0
[/CIF]
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