The material described by UY(CrSi)4 crystallizes in the tetragonal P4/mmm space group. U(1) is bonded in a 16-coordinate geometry to eight equivalent Cr(1) and eight equivalent Si(1) atoms. Y(1) is bonded in a 8-coordinate geometry to eight equivalent Si(2) atoms. Cr(1) is bonded to two equivalent U(1), two equivalent Si(1), and two equivalent Si(2) atoms to form a mixture of face, corner, and edge-sharing CrU2Si4 tetrahedra. 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), four equivalent Cr(1), and one Si(1) atom. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to four equivalent Y(1), four equivalent Cr(1), and one Si(2) atom. is represented by the CIF file [CIF]
data_YU(CrSi)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.880
_cell_length_b   3.880
_cell_length_c   10.485
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   157.833
_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
  Y  Y0  1  0.500  0.500  0.500  1.0
  U  U1  1  0.000  0.000  0.000  1.0
  Cr  Cr2  1  0.000  0.500  0.245  1.0
  Cr  Cr3  1  0.500  0.000  0.755  1.0
  Cr  Cr4  1  0.500  0.000  0.245  1.0
  Cr  Cr5  1  0.000  0.500  0.755  1.0
  Si  Si6  1  0.500  0.500  0.113  1.0
  Si  Si7  1  0.000  0.000  0.618  1.0
  Si  Si8  1  0.000  0.000  0.382  1.0
  Si  Si9  1  0.500  0.500  0.887  1.0
[/CIF]
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The material described by UY(CrSi)4 crystallizes in the tetragonal P4/mmm space group. U(1) is bonded in a 16-coordinate geometry to eight equivalent Cr(1) and eight equivalent Si(1) atoms. Y(1) is bonded in a 8-coordinate geometry to eight equivalent Si(2) atoms. Cr(1) is bonded to two equivalent U(1), two equivalent Si(1), and two equivalent Si(2) atoms to form a mixture of face, corner, and edge-sharing CrU2Si4 tetrahedra. 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), four equivalent Cr(1), and one Si(1) atom. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to four equivalent Y(1), four equivalent Cr(1), and one Si(2) atom. is represented by the CIF file [CIF]
data_YU(CrSi)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.880
_cell_length_b   3.880
_cell_length_c   10.485
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   157.833
_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
  Y  Y0  1  0.500  0.500  0.500  1.0
  U  U1  1  0.000  0.000  0.000  1.0
  Cr  Cr2  1  0.000  0.500  0.245  1.0
  Cr  Cr3  1  0.500  0.000  0.755  1.0
  Cr  Cr4  1  0.500  0.000  0.245  1.0
  Cr  Cr5  1  0.000  0.500  0.755  1.0
  Si  Si6  1  0.500  0.500  0.113  1.0
  Si  Si7  1  0.000  0.000  0.618  1.0
  Si  Si8  1  0.000  0.000  0.382  1.0
  Si  Si9  1  0.500  0.500  0.887  1.0
[/CIF]
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