The crystal structure described by UNi4Zn is Hexagonal Laves-derived structured and crystallizes in the monoclinic Cm space group. U(1) is bonded in a 16-coordinate geometry to three equivalent Ni(2), three equivalent Ni(3), six equivalent Ni(1), and four equivalent Zn(1) atoms. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to three equivalent U(1), two equivalent Ni(1), two equivalent Ni(2), two equivalent Ni(3), and three equivalent Zn(1) atoms to form a mixture of face, corner, and edge-sharing NiU3Zn3Ni6 cuboctahedra. In the second Ni site, Ni(2) is bonded to three equivalent U(1), two equivalent Ni(3), four equivalent Ni(1), and three equivalent Zn(1) atoms to form a mixture of face, corner, and edge-sharing NiU3Zn3Ni6 cuboctahedra. In the third Ni site, Ni(3) is bonded to three equivalent U(1), two equivalent Ni(2), four equivalent Ni(1), and three equivalent Zn(1) atoms to form a mixture of face, corner, and edge-sharing NiU3Zn3Ni6 cuboctahedra. Zn(1) is bonded in a 16-coordinate geometry to four equivalent U(1), three equivalent Ni(2), three equivalent Ni(3), and six equivalent Ni(1) atoms. is represented by the CIF card [CIF]
data_UZnNi4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.830
_cell_length_b   4.831
_cell_length_c   4.831
_cell_angle_alpha   60.092
_cell_angle_beta   60.061
_cell_angle_gamma   60.061
_symmetry_Int_Tables_number   1
_cell_volume   79.846
_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  0.003  0.003  1.0
  Zn  Zn1  1  0.750  0.751  0.751  1.0
  Ni  Ni2  1  0.376  0.871  0.376  1.0
  Ni  Ni3  1  0.376  0.376  0.871  1.0
  Ni  Ni4  1  0.872  0.375  0.375  1.0
  Ni  Ni5  1  0.376  0.375  0.375  1.0
[/CIF]
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The crystal structure described by UNi4Zn is Hexagonal Laves-derived structured and crystallizes in the monoclinic Cm space group. U(1) is bonded in a 16-coordinate geometry to three equivalent Ni(2), three equivalent Ni(3), six equivalent Ni(1), and four equivalent Zn(1) atoms. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to three equivalent U(1), two equivalent Ni(1), two equivalent Ni(2), two equivalent Ni(3), and three equivalent Zn(1) atoms to form a mixture of face, corner, and edge-sharing NiU3Zn3Ni6 cuboctahedra. In the second Ni site, Ni(2) is bonded to three equivalent U(1), two equivalent Ni(3), four equivalent Ni(1), and three equivalent Zn(1) atoms to form a mixture of face, corner, and edge-sharing NiU3Zn3Ni6 cuboctahedra. In the third Ni site, Ni(3) is bonded to three equivalent U(1), two equivalent Ni(2), four equivalent Ni(1), and three equivalent Zn(1) atoms to form a mixture of face, corner, and edge-sharing NiU3Zn3Ni6 cuboctahedra. Zn(1) is bonded in a 16-coordinate geometry to four equivalent U(1), three equivalent Ni(2), three equivalent Ni(3), and six equivalent Ni(1) atoms. is represented by the CIF card [CIF]
data_UZnNi4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.830
_cell_length_b   4.831
_cell_length_c   4.831
_cell_angle_alpha   60.092
_cell_angle_beta   60.061
_cell_angle_gamma   60.061
_symmetry_Int_Tables_number   1
_cell_volume   79.846
_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  0.003  0.003  1.0
  Zn  Zn1  1  0.750  0.751  0.751  1.0
  Ni  Ni2  1  0.376  0.871  0.376  1.0
  Ni  Ni3  1  0.376  0.376  0.871  1.0
  Ni  Ni4  1  0.872  0.375  0.375  1.0
  Ni  Ni5  1  0.376  0.375  0.375  1.0
[/CIF]
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