The crystal structure described by UCu5Sn crystallizes in the hexagonal P6_3/mmc space group. There are three inequivalent U sites. In the first U site, U(1) is bonded in a distorted hexagonal planar geometry to three equivalent Cu(1), three equivalent Cu(4), twelve equivalent Cu(2), and two equivalent Sn(1) atoms. In the second U site, U(1) is bonded in a distorted hexagonal planar geometry to three equivalent Cu(1), three equivalent Cu(4), twelve equivalent Cu(2), and two equivalent Sn(1) atoms. In the third U site, U(2) is bonded in a 18-coordinate geometry to six equivalent Cu(2), six equivalent Cu(3), and six equivalent Sn(1) atoms. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to three equivalent U(1), three equivalent Cu(4), and six equivalent Cu(2) atoms to form distorted CuU3Cu9 cuboctahedra that share corners with three equivalent Cu(4)U3Cu9 cuboctahedra, corners with twelve equivalent Cu(2)U3Cu7Sn2 cuboctahedra, edges with six equivalent Cu(1)U3Cu9 cuboctahedra, faces with three equivalent Cu(4)U3Cu9 cuboctahedra, and faces with eighteen equivalent Cu(2)U3Cu7Sn2 cuboctahedra. In the second Cu site, Cu(2) is bonded to one U(2), two equivalent U(1), one Cu(1), one Cu(3), one Cu(4), four equivalent Cu(2), and two equivalent Sn(1) atoms to form CuU3Cu7Sn2 cuboctahedra that share corners with two equivalent Cu(1)U3Cu9 cuboctahedra, corners with two equivalent Cu(4)U3Cu9 cuboctahedra, corners with thirteen equivalent Cu(2)U3Cu7Sn2 cuboctahedra, edges with six equivalent Cu(2)U3Cu7Sn2 cuboctahedra, faces with three equivalent Cu(1)U3Cu9 cuboctahedra, faces with three equivalent Cu(4)U3Cu9 cuboctahedra, and faces with nine equivalent Cu(2)U3Cu7Sn2 cuboctahedra. In the third Cu site, Cu(3) is bonded in a 10-coordinate geometry to three equivalent U(2), three equivalent Cu(2), and four equivalent Sn(1) atoms. In the fourth Cu site, Cu(4) is bonded to three equivalent U(1), three equivalent Cu(1), and six equivalent Cu(2) atoms to form distorted CuU3Cu9 cuboctahedra that share corners with three equivalent Cu(1)U3Cu9 cuboctahedra, corners with twelve equivalent Cu(2)U3Cu7Sn2 cuboctahedra, edges with six equivalent Cu(4)U3Cu9 cuboctahedra, faces with three equivalent Cu(1)U3Cu9 cuboctahedra, and faces with eighteen equivalent Cu(2)U3Cu7Sn2 cuboctahedra. Sn(1) is bonded in a 14-coordinate geometry to one U(1), three equivalent U(2), four equivalent Cu(3), and six equivalent Cu(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_UCu5Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.977
_cell_length_b   4.977
_cell_length_c   20.310
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   435.775
_cell_formula_units_Z   4
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  0.667  0.333  0.250  1.0
  U  U1  1  0.333  0.667  0.750  1.0
  U  U2  1  0.000  0.000  0.000  1.0
  U  U3  1  0.000  0.000  0.500  1.0
  Cu  Cu4  1  0.000  0.000  0.250  1.0
  Cu  Cu5  1  0.000  0.000  0.750  1.0
  Cu  Cu6  1  0.166  0.332  0.147  1.0
  Cu  Cu7  1  0.834  0.166  0.647  1.0
  Cu  Cu8  1  0.332  0.166  0.647  1.0
  Cu  Cu9  1  0.668  0.834  0.147  1.0
  Cu  Cu10  1  0.166  0.834  0.147  1.0
  Cu  Cu11  1  0.834  0.668  0.853  1.0
  Cu  Cu12  1  0.834  0.166  0.853  1.0
  Cu  Cu13  1  0.834  0.668  0.647  1.0
  Cu  Cu14  1  0.332  0.166  0.853  1.0
  Cu  Cu15  1  0.668  0.834  0.353  1.0
  Cu  Cu16  1  0.166  0.332  0.353  1.0
  Cu  Cu17  1  0.166  0.834  0.353  1.0
  Cu  Cu18  1  0.333  0.667  0.044  1.0
  Cu  Cu19  1  0.667  0.333  0.544  1.0
  Cu  Cu20  1  0.667  0.333  0.956  1.0
  Cu  Cu21  1  0.333  0.667  0.456  1.0
  Cu  Cu22  1  0.333  0.667  0.250  1.0
  Cu  Cu23  1  0.667  0.333  0.750  1.0
  Sn  Sn24  1  0.667  0.333  0.085  1.0
  Sn  Sn25  1  0.333  0.667  0.585  1.0
  Sn  Sn26  1  0.333  0.667  0.915  1.0
  Sn  Sn27  1  0.667  0.333  0.415  1.0
[/CIF]
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The crystal structure described by UCu5Sn crystallizes in the hexagonal P6_3/mmc space group. There are three inequivalent U sites. In the first U site, U(1) is bonded in a distorted hexagonal planar geometry to three equivalent Cu(1), three equivalent Cu(4), twelve equivalent Cu(2), and two equivalent Sn(1) atoms. In the second U site, U(1) is bonded in a distorted hexagonal planar geometry to three equivalent Cu(1), three equivalent Cu(4), twelve equivalent Cu(2), and two equivalent Sn(1) atoms. In the third U site, U(2) is bonded in a 18-coordinate geometry to six equivalent Cu(2), six equivalent Cu(3), and six equivalent Sn(1) atoms. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to three equivalent U(1), three equivalent Cu(4), and six equivalent Cu(2) atoms to form distorted CuU3Cu9 cuboctahedra that share corners with three equivalent Cu(4)U3Cu9 cuboctahedra, corners with twelve equivalent Cu(2)U3Cu7Sn2 cuboctahedra, edges with six equivalent Cu(1)U3Cu9 cuboctahedra, faces with three equivalent Cu(4)U3Cu9 cuboctahedra, and faces with eighteen equivalent Cu(2)U3Cu7Sn2 cuboctahedra. In the second Cu site, Cu(2) is bonded to one U(2), two equivalent U(1), one Cu(1), one Cu(3), one Cu(4), four equivalent Cu(2), and two equivalent Sn(1) atoms to form CuU3Cu7Sn2 cuboctahedra that share corners with two equivalent Cu(1)U3Cu9 cuboctahedra, corners with two equivalent Cu(4)U3Cu9 cuboctahedra, corners with thirteen equivalent Cu(2)U3Cu7Sn2 cuboctahedra, edges with six equivalent Cu(2)U3Cu7Sn2 cuboctahedra, faces with three equivalent Cu(1)U3Cu9 cuboctahedra, faces with three equivalent Cu(4)U3Cu9 cuboctahedra, and faces with nine equivalent Cu(2)U3Cu7Sn2 cuboctahedra. In the third Cu site, Cu(3) is bonded in a 10-coordinate geometry to three equivalent U(2), three equivalent Cu(2), and four equivalent Sn(1) atoms. In the fourth Cu site, Cu(4) is bonded to three equivalent U(1), three equivalent Cu(1), and six equivalent Cu(2) atoms to form distorted CuU3Cu9 cuboctahedra that share corners with three equivalent Cu(1)U3Cu9 cuboctahedra, corners with twelve equivalent Cu(2)U3Cu7Sn2 cuboctahedra, edges with six equivalent Cu(4)U3Cu9 cuboctahedra, faces with three equivalent Cu(1)U3Cu9 cuboctahedra, and faces with eighteen equivalent Cu(2)U3Cu7Sn2 cuboctahedra. Sn(1) is bonded in a 14-coordinate geometry to one U(1), three equivalent U(2), four equivalent Cu(3), and six equivalent Cu(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_UCu5Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.977
_cell_length_b   4.977
_cell_length_c   20.310
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   435.775
_cell_formula_units_Z   4
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  0.667  0.333  0.250  1.0
  U  U1  1  0.333  0.667  0.750  1.0
  U  U2  1  0.000  0.000  0.000  1.0
  U  U3  1  0.000  0.000  0.500  1.0
  Cu  Cu4  1  0.000  0.000  0.250  1.0
  Cu  Cu5  1  0.000  0.000  0.750  1.0
  Cu  Cu6  1  0.166  0.332  0.147  1.0
  Cu  Cu7  1  0.834  0.166  0.647  1.0
  Cu  Cu8  1  0.332  0.166  0.647  1.0
  Cu  Cu9  1  0.668  0.834  0.147  1.0
  Cu  Cu10  1  0.166  0.834  0.147  1.0
  Cu  Cu11  1  0.834  0.668  0.853  1.0
  Cu  Cu12  1  0.834  0.166  0.853  1.0
  Cu  Cu13  1  0.834  0.668  0.647  1.0
  Cu  Cu14  1  0.332  0.166  0.853  1.0
  Cu  Cu15  1  0.668  0.834  0.353  1.0
  Cu  Cu16  1  0.166  0.332  0.353  1.0
  Cu  Cu17  1  0.166  0.834  0.353  1.0
  Cu  Cu18  1  0.333  0.667  0.044  1.0
  Cu  Cu19  1  0.667  0.333  0.544  1.0
  Cu  Cu20  1  0.667  0.333  0.956  1.0
  Cu  Cu21  1  0.333  0.667  0.456  1.0
  Cu  Cu22  1  0.333  0.667  0.250  1.0
  Cu  Cu23  1  0.667  0.333  0.750  1.0
  Sn  Sn24  1  0.667  0.333  0.085  1.0
  Sn  Sn25  1  0.333  0.667  0.585  1.0
  Sn  Sn26  1  0.333  0.667  0.915  1.0
  Sn  Sn27  1  0.667  0.333  0.415  1.0
[/CIF]
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