The crystal structure described by U5CrSb3 crystallizes in the hexagonal P6_3/mcm space group. There are two inequivalent U sites. In the first U site, U(1) is bonded to two equivalent Cr(1) and five equivalent Sb(1) atoms to form a mixture of distorted edge, face, and corner-sharing UCr2Sb5 pentagonal bipyramids. In the second U site, U(2) is bonded in a 8-coordinate geometry to two equivalent U(2) and six equivalent Sb(1) atoms. Cr(1) is bonded to six equivalent U(1) atoms to form face-sharing CrU6 octahedra. Sb(1) is bonded in a 9-coordinate geometry to four equivalent U(2) and five equivalent U(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_U5CrSb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.867
_cell_length_b   9.131
_cell_length_c   9.131
_cell_angle_alpha   120.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   423.689
_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  0.755  0.755  1.0
  U  U1  1  0.250  0.245  0.245  1.0
  U  U2  1  0.750  0.000  0.245  1.0
  U  U3  1  0.250  0.000  0.755  1.0
  U  U4  1  0.750  0.245  0.000  1.0
  U  U5  1  0.250  0.755  0.000  1.0
  U  U6  1  0.000  0.667  0.333  1.0
  U  U7  1  0.000  0.333  0.667  1.0
  U  U8  1  0.500  0.333  0.667  1.0
  U  U9  1  0.500  0.667  0.333  1.0
  Cr  Cr10  1  0.000  0.000  0.000  1.0
  Cr  Cr11  1  0.500  0.000  0.000  1.0
  Sb  Sb12  1  0.750  0.389  0.389  1.0
  Sb  Sb13  1  0.250  0.611  0.611  1.0
  Sb  Sb14  1  0.750  0.000  0.611  1.0
  Sb  Sb15  1  0.250  0.000  0.389  1.0
  Sb  Sb16  1  0.750  0.611  0.000  1.0
  Sb  Sb17  1  0.250  0.389  0.000  1.0
[/CIF]
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The crystal structure described by U5CrSb3 crystallizes in the hexagonal P6_3/mcm space group. There are two inequivalent U sites. In the first U site, U(1) is bonded to two equivalent Cr(1) and five equivalent Sb(1) atoms to form a mixture of distorted edge, face, and corner-sharing UCr2Sb5 pentagonal bipyramids. In the second U site, U(2) is bonded in a 8-coordinate geometry to two equivalent U(2) and six equivalent Sb(1) atoms. Cr(1) is bonded to six equivalent U(1) atoms to form face-sharing CrU6 octahedra. Sb(1) is bonded in a 9-coordinate geometry to four equivalent U(2) and five equivalent U(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_U5CrSb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.867
_cell_length_b   9.131
_cell_length_c   9.131
_cell_angle_alpha   120.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   423.689
_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  0.755  0.755  1.0
  U  U1  1  0.250  0.245  0.245  1.0
  U  U2  1  0.750  0.000  0.245  1.0
  U  U3  1  0.250  0.000  0.755  1.0
  U  U4  1  0.750  0.245  0.000  1.0
  U  U5  1  0.250  0.755  0.000  1.0
  U  U6  1  0.000  0.667  0.333  1.0
  U  U7  1  0.000  0.333  0.667  1.0
  U  U8  1  0.500  0.333  0.667  1.0
  U  U9  1  0.500  0.667  0.333  1.0
  Cr  Cr10  1  0.000  0.000  0.000  1.0
  Cr  Cr11  1  0.500  0.000  0.000  1.0
  Sb  Sb12  1  0.750  0.389  0.389  1.0
  Sb  Sb13  1  0.250  0.611  0.611  1.0
  Sb  Sb14  1  0.750  0.000  0.611  1.0
  Sb  Sb15  1  0.250  0.000  0.389  1.0
  Sb  Sb16  1  0.750  0.611  0.000  1.0
  Sb  Sb17  1  0.250  0.389  0.000  1.0
[/CIF]
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