The material structure described by UCrCuSi2 crystallizes in the tetragonal I-4m2 space group. U(1) is bonded in a 16-coordinate geometry to four equivalent Cr(1), four equivalent Cu(1), and eight equivalent Si(1) atoms. Cr(1) is bonded to four equivalent U(1), four equivalent Cu(1), and four equivalent Si(1) atoms to form distorted CrU4Cu4Si4 tetrahedra that share corners with four equivalent Cu(1)U4Cr4Si4 cuboctahedra, corners with twelve equivalent Cr(1)U4Cu4Si4 tetrahedra, edges with two equivalent Cu(1)U4Cr4Si4 cuboctahedra, faces with four equivalent Cu(1)U4Cr4Si4 cuboctahedra, and faces with four equivalent Cr(1)U4Cu4Si4 tetrahedra. Cu(1) is bonded to four equivalent U(1), four equivalent Cr(1), and four equivalent Si(1) atoms to form CuU4Cr4Si4 cuboctahedra that share corners with twelve equivalent Cu(1)U4Cr4Si4 cuboctahedra, corners with four equivalent Cr(1)U4Cu4Si4 tetrahedra, edges with two equivalent Cr(1)U4Cu4Si4 tetrahedra, faces with four equivalent Cu(1)U4Cr4Si4 cuboctahedra, and faces with four equivalent Cr(1)U4Cu4Si4 tetrahedra. Si(1) is bonded in a 9-coordinate geometry to four equivalent U(1), two equivalent Cr(1), two equivalent Cu(1), and one Si(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_UCrCuSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.882
_cell_length_b   5.882
_cell_length_c   5.882
_cell_angle_alpha   140.845
_cell_angle_beta   140.845
_cell_angle_gamma   56.573
_symmetry_Int_Tables_number   1
_cell_volume   80.468
_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  0.000  0.000  0.000  1.0
  Cr  Cr1  1  0.250  0.750  0.500  1.0
  Cu  Cu2  1  0.750  0.250  0.500  1.0
  Si  Si3  1  0.615  0.615  0.000  1.0
  Si  Si4  1  0.385  0.385  0.000  1.0
[/CIF]
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The material structure described by UCrCuSi2 crystallizes in the tetragonal I-4m2 space group. U(1) is bonded in a 16-coordinate geometry to four equivalent Cr(1), four equivalent Cu(1), and eight equivalent Si(1) atoms. Cr(1) is bonded to four equivalent U(1), four equivalent Cu(1), and four equivalent Si(1) atoms to form distorted CrU4Cu4Si4 tetrahedra that share corners with four equivalent Cu(1)U4Cr4Si4 cuboctahedra, corners with twelve equivalent Cr(1)U4Cu4Si4 tetrahedra, edges with two equivalent Cu(1)U4Cr4Si4 cuboctahedra, faces with four equivalent Cu(1)U4Cr4Si4 cuboctahedra, and faces with four equivalent Cr(1)U4Cu4Si4 tetrahedra. Cu(1) is bonded to four equivalent U(1), four equivalent Cr(1), and four equivalent Si(1) atoms to form CuU4Cr4Si4 cuboctahedra that share corners with twelve equivalent Cu(1)U4Cr4Si4 cuboctahedra, corners with four equivalent Cr(1)U4Cu4Si4 tetrahedra, edges with two equivalent Cr(1)U4Cu4Si4 tetrahedra, faces with four equivalent Cu(1)U4Cr4Si4 cuboctahedra, and faces with four equivalent Cr(1)U4Cu4Si4 tetrahedra. Si(1) is bonded in a 9-coordinate geometry to four equivalent U(1), two equivalent Cr(1), two equivalent Cu(1), and one Si(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_UCrCuSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.882
_cell_length_b   5.882
_cell_length_c   5.882
_cell_angle_alpha   140.845
_cell_angle_beta   140.845
_cell_angle_gamma   56.573
_symmetry_Int_Tables_number   1
_cell_volume   80.468
_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  0.000  0.000  0.000  1.0
  Cr  Cr1  1  0.250  0.750  0.500  1.0
  Cu  Cu2  1  0.750  0.250  0.500  1.0
  Si  Si3  1  0.615  0.615  0.000  1.0
  Si  Si4  1  0.385  0.385  0.000  1.0
[/CIF]
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