The structure described by U3CrSb5 crystallizes in the hexagonal P6_3/mcm space group. U(1) is bonded in a 9-coordinate geometry to four equivalent Sb(2) and five equivalent Sb(1) atoms. Cr(1) is bonded to six equivalent Sb(1) atoms to form face-sharing CrSb6 octahedra. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to five equivalent U(1) and two equivalent Cr(1) atoms to form a mixture of distorted face, corner, and edge-sharing SbU5Cr2 pentagonal bipyramids. In the second Sb site, Sb(2) is bonded in a 8-coordinate geometry to six equivalent U(1) and two equivalent Sb(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_U3CrSb5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.126
_cell_length_b   9.067
_cell_length_c   9.064
_cell_angle_alpha   120.012
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   435.909
_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  0.750  0.611  0.000  1.0
  U  U1  1  0.750  0.389  0.389  1.0
  U  U2  1  0.750  0.000  0.611  1.0
  U  U3  1  0.250  0.389  0.000  1.0
  U  U4  1  0.250  0.611  0.611  1.0
  U  U5  1  0.250  1.000  0.389  1.0
  Cr  Cr6  1  0.500  1.000  0.000  1.0
  Cr  Cr7  1  1.000  0.000  0.000  1.0
  Sb  Sb8  1  0.750  0.257  0.000  1.0
  Sb  Sb9  1  0.750  0.743  0.743  1.0
  Sb  Sb10  1  0.750  1.000  0.257  1.0
  Sb  Sb11  1  0.250  0.743  0.000  1.0
  Sb  Sb12  1  0.250  0.257  0.257  1.0
  Sb  Sb13  1  0.250  0.000  0.743  1.0
  Sb  Sb14  1  0.500  0.333  0.667  1.0
  Sb  Sb15  1  0.500  0.667  0.333  1.0
  Sb  Sb16  1  0.000  0.667  0.333  1.0
  Sb  Sb17  1  0.000  0.333  0.667  1.0
[/CIF]
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The structure described by U3CrSb5 crystallizes in the hexagonal P6_3/mcm space group. U(1) is bonded in a 9-coordinate geometry to four equivalent Sb(2) and five equivalent Sb(1) atoms. Cr(1) is bonded to six equivalent Sb(1) atoms to form face-sharing CrSb6 octahedra. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to five equivalent U(1) and two equivalent Cr(1) atoms to form a mixture of distorted face, corner, and edge-sharing SbU5Cr2 pentagonal bipyramids. In the second Sb site, Sb(2) is bonded in a 8-coordinate geometry to six equivalent U(1) and two equivalent Sb(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_U3CrSb5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.126
_cell_length_b   9.067
_cell_length_c   9.064
_cell_angle_alpha   120.012
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   435.909
_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  0.750  0.611  0.000  1.0
  U  U1  1  0.750  0.389  0.389  1.0
  U  U2  1  0.750  0.000  0.611  1.0
  U  U3  1  0.250  0.389  0.000  1.0
  U  U4  1  0.250  0.611  0.611  1.0
  U  U5  1  0.250  1.000  0.389  1.0
  Cr  Cr6  1  0.500  1.000  0.000  1.0
  Cr  Cr7  1  1.000  0.000  0.000  1.0
  Sb  Sb8  1  0.750  0.257  0.000  1.0
  Sb  Sb9  1  0.750  0.743  0.743  1.0
  Sb  Sb10  1  0.750  1.000  0.257  1.0
  Sb  Sb11  1  0.250  0.743  0.000  1.0
  Sb  Sb12  1  0.250  0.257  0.257  1.0
  Sb  Sb13  1  0.250  0.000  0.743  1.0
  Sb  Sb14  1  0.500  0.333  0.667  1.0
  Sb  Sb15  1  0.500  0.667  0.333  1.0
  Sb  Sb16  1  0.000  0.667  0.333  1.0
  Sb  Sb17  1  0.000  0.333  0.667  1.0
[/CIF]
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