The crystal structure described by U2NiCu3Si4 crystallizes in the tetragonal P-4m2 space group. U(1) is bonded in a 16-coordinate geometry to two equivalent Ni(1), two equivalent Cu(1), two equivalent Cu(2), two equivalent Cu(3), four equivalent Si(1), and four equivalent Si(2) atoms. Ni(1) is bonded to four equivalent U(1), four equivalent Cu(2), and four equivalent Si(1) atoms to form distorted NiU4Cu4Si4 cuboctahedra that share corners with four equivalent Ni(1)U4Cu4Si4 cuboctahedra, corners with four equivalent Cu(3)U4Cu4Si4 cuboctahedra, corners with eight equivalent Cu(1)U4Cu4Si4 cuboctahedra, edges with two equivalent Cu(3)U4Cu4Si4 cuboctahedra, faces with four equivalent Ni(1)U4Cu4Si4 cuboctahedra, and faces with four equivalent Cu(2)U4Si4Ni4 cuboctahedra. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to four equivalent U(1), four equivalent Cu(3), and four equivalent Si(2) atoms to form distorted CuU4Cu4Si4 cuboctahedra that share corners with four equivalent Cu(1)U4Cu4Si4 cuboctahedra, corners with four equivalent Cu(2)U4Si4Ni4 cuboctahedra, corners with eight equivalent Ni(1)U4Cu4Si4 cuboctahedra, edges with two equivalent Cu(2)U4Si4Ni4 cuboctahedra, faces with four equivalent Cu(1)U4Cu4Si4 cuboctahedra, and faces with four equivalent Cu(3)U4Cu4Si4 cuboctahedra. In the second Cu site, Cu(2) is bonded to four equivalent U(1), four equivalent Ni(1), and four equivalent Si(1) atoms to form distorted CuU4Si4Ni4 cuboctahedra that share corners with four equivalent Cu(1)U4Cu4Si4 cuboctahedra, corners with four equivalent Cu(2)U4Si4Ni4 cuboctahedra, corners with eight equivalent Cu(3)U4Cu4Si4 cuboctahedra, edges with two equivalent Cu(1)U4Cu4Si4 cuboctahedra, faces with four equivalent Ni(1)U4Cu4Si4 cuboctahedra, and faces with four equivalent Cu(2)U4Si4Ni4 cuboctahedra. In the third Cu site, Cu(3) is bonded to four equivalent U(1), four equivalent Cu(1), and four equivalent Si(2) atoms to form distorted CuU4Cu4Si4 cuboctahedra that share corners with four equivalent Ni(1)U4Cu4Si4 cuboctahedra, corners with four equivalent Cu(3)U4Cu4Si4 cuboctahedra, corners with eight equivalent Cu(2)U4Si4Ni4 cuboctahedra, edges with two equivalent Ni(1)U4Cu4Si4 cuboctahedra, faces with four equivalent Cu(1)U4Cu4Si4 cuboctahedra, and faces with four equivalent Cu(3)U4Cu4Si4 cuboctahedra. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to four equivalent U(1), two equivalent Ni(1), two equivalent Cu(2), and one Si(2) atom. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to four equivalent U(1), two equivalent Cu(1), two equivalent Cu(3), and one Si(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_U2Cu3Si4Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.949
_cell_length_b   3.949
_cell_length_c   9.901
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   154.410
_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  0.500  0.000  0.754  1.0
  U  U1  1  0.000  0.500  0.246  1.0
  Cu  Cu2  1  0.000  0.000  0.500  1.0
  Cu  Cu3  1  0.000  0.000  0.000  1.0
  Cu  Cu4  1  0.500  0.500  0.500  1.0
  Si  Si5  1  0.000  0.500  0.873  1.0
  Si  Si6  1  0.500  0.000  0.363  1.0
  Si  Si7  1  0.500  0.000  0.127  1.0
  Si  Si8  1  0.000  0.500  0.637  1.0
  Ni  Ni9  1  0.500  0.500  0.000  1.0
[/CIF]
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The crystal structure described by U2NiCu3Si4 crystallizes in the tetragonal P-4m2 space group. U(1) is bonded in a 16-coordinate geometry to two equivalent Ni(1), two equivalent Cu(1), two equivalent Cu(2), two equivalent Cu(3), four equivalent Si(1), and four equivalent Si(2) atoms. Ni(1) is bonded to four equivalent U(1), four equivalent Cu(2), and four equivalent Si(1) atoms to form distorted NiU4Cu4Si4 cuboctahedra that share corners with four equivalent Ni(1)U4Cu4Si4 cuboctahedra, corners with four equivalent Cu(3)U4Cu4Si4 cuboctahedra, corners with eight equivalent Cu(1)U4Cu4Si4 cuboctahedra, edges with two equivalent Cu(3)U4Cu4Si4 cuboctahedra, faces with four equivalent Ni(1)U4Cu4Si4 cuboctahedra, and faces with four equivalent Cu(2)U4Si4Ni4 cuboctahedra. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to four equivalent U(1), four equivalent Cu(3), and four equivalent Si(2) atoms to form distorted CuU4Cu4Si4 cuboctahedra that share corners with four equivalent Cu(1)U4Cu4Si4 cuboctahedra, corners with four equivalent Cu(2)U4Si4Ni4 cuboctahedra, corners with eight equivalent Ni(1)U4Cu4Si4 cuboctahedra, edges with two equivalent Cu(2)U4Si4Ni4 cuboctahedra, faces with four equivalent Cu(1)U4Cu4Si4 cuboctahedra, and faces with four equivalent Cu(3)U4Cu4Si4 cuboctahedra. In the second Cu site, Cu(2) is bonded to four equivalent U(1), four equivalent Ni(1), and four equivalent Si(1) atoms to form distorted CuU4Si4Ni4 cuboctahedra that share corners with four equivalent Cu(1)U4Cu4Si4 cuboctahedra, corners with four equivalent Cu(2)U4Si4Ni4 cuboctahedra, corners with eight equivalent Cu(3)U4Cu4Si4 cuboctahedra, edges with two equivalent Cu(1)U4Cu4Si4 cuboctahedra, faces with four equivalent Ni(1)U4Cu4Si4 cuboctahedra, and faces with four equivalent Cu(2)U4Si4Ni4 cuboctahedra. In the third Cu site, Cu(3) is bonded to four equivalent U(1), four equivalent Cu(1), and four equivalent Si(2) atoms to form distorted CuU4Cu4Si4 cuboctahedra that share corners with four equivalent Ni(1)U4Cu4Si4 cuboctahedra, corners with four equivalent Cu(3)U4Cu4Si4 cuboctahedra, corners with eight equivalent Cu(2)U4Si4Ni4 cuboctahedra, edges with two equivalent Ni(1)U4Cu4Si4 cuboctahedra, faces with four equivalent Cu(1)U4Cu4Si4 cuboctahedra, and faces with four equivalent Cu(3)U4Cu4Si4 cuboctahedra. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to four equivalent U(1), two equivalent Ni(1), two equivalent Cu(2), and one Si(2) atom. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to four equivalent U(1), two equivalent Cu(1), two equivalent Cu(3), and one Si(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_U2Cu3Si4Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.949
_cell_length_b   3.949
_cell_length_c   9.901
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   154.410
_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  0.500  0.000  0.754  1.0
  U  U1  1  0.000  0.500  0.246  1.0
  Cu  Cu2  1  0.000  0.000  0.500  1.0
  Cu  Cu3  1  0.000  0.000  0.000  1.0
  Cu  Cu4  1  0.500  0.500  0.500  1.0
  Si  Si5  1  0.000  0.500  0.873  1.0
  Si  Si6  1  0.500  0.000  0.363  1.0
  Si  Si7  1  0.500  0.000  0.127  1.0
  Si  Si8  1  0.000  0.500  0.637  1.0
  Ni  Ni9  1  0.500  0.500  0.000  1.0
[/CIF]
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