The material structure described by U2(NiSi2)3 crystallizes in the orthorhombic Cmmm space group. U(1) is bonded in a 14-coordinate geometry to four equivalent Ni(1), two equivalent Si(1), two equivalent Si(2), and six equivalent Si(3) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 9-coordinate geometry to four equivalent U(1), one Si(3), two equivalent Si(1), and two equivalent Si(2) atoms. In the second Ni site, Ni(2) is bonded in a body-centered cubic geometry to four equivalent Si(1) and four equivalent Si(2) atoms. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded in a 7-coordinate geometry to two equivalent U(1), two equivalent Ni(1), two equivalent Ni(2), and one Si(1) atom. In the second Si site, Si(2) is bonded in a 7-coordinate geometry to two equivalent U(1), two equivalent Ni(1), two equivalent Ni(2), and one Si(2) atom. In the third Si site, Si(3) is bonded in a 9-coordinate geometry to six equivalent U(1), one Ni(1), and two equivalent Si(3) atoms. is represented by the CIF card [CIF]
data_U2(Si2Ni)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.773
_cell_length_b   10.773
_cell_length_c   3.981
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   158.670
_symmetry_Int_Tables_number   1
_cell_volume   168.035
_cell_formula_units_Z   1
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  0.831  0.169  0.000  1.0
  U  U1  1  0.169  0.831  0.000  1.0
  Si  Si2  1  0.941  0.059  0.500  1.0
  Si  Si3  1  0.059  0.941  0.500  1.0
  Si  Si4  1  0.560  0.440  0.000  1.0
  Si  Si5  1  0.440  0.560  0.000  1.0
  Si  Si6  1  0.720  0.280  0.500  1.0
  Si  Si7  1  0.280  0.720  0.500  1.0
  Ni  Ni8  1  0.614  0.386  0.500  1.0
  Ni  Ni9  1  0.386  0.614  0.500  1.0
  Ni  Ni10  1  0.000  0.000  0.000  1.0
[/CIF]
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The material structure described by U2(NiSi2)3 crystallizes in the orthorhombic Cmmm space group. U(1) is bonded in a 14-coordinate geometry to four equivalent Ni(1), two equivalent Si(1), two equivalent Si(2), and six equivalent Si(3) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 9-coordinate geometry to four equivalent U(1), one Si(3), two equivalent Si(1), and two equivalent Si(2) atoms. In the second Ni site, Ni(2) is bonded in a body-centered cubic geometry to four equivalent Si(1) and four equivalent Si(2) atoms. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded in a 7-coordinate geometry to two equivalent U(1), two equivalent Ni(1), two equivalent Ni(2), and one Si(1) atom. In the second Si site, Si(2) is bonded in a 7-coordinate geometry to two equivalent U(1), two equivalent Ni(1), two equivalent Ni(2), and one Si(2) atom. In the third Si site, Si(3) is bonded in a 9-coordinate geometry to six equivalent U(1), one Ni(1), and two equivalent Si(3) atoms. is represented by the CIF card [CIF]
data_U2(Si2Ni)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.773
_cell_length_b   10.773
_cell_length_c   3.981
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   158.670
_symmetry_Int_Tables_number   1
_cell_volume   168.035
_cell_formula_units_Z   1
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  0.831  0.169  0.000  1.0
  U  U1  1  0.169  0.831  0.000  1.0
  Si  Si2  1  0.941  0.059  0.500  1.0
  Si  Si3  1  0.059  0.941  0.500  1.0
  Si  Si4  1  0.560  0.440  0.000  1.0
  Si  Si5  1  0.440  0.560  0.000  1.0
  Si  Si6  1  0.720  0.280  0.500  1.0
  Si  Si7  1  0.280  0.720  0.500  1.0
  Ni  Ni8  1  0.614  0.386  0.500  1.0
  Ni  Ni9  1  0.386  0.614  0.500  1.0
  Ni  Ni10  1  0.000  0.000  0.000  1.0
[/CIF]
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