The compound described by CeNi4Zn crystallizes in the hexagonal P-6m2 space group. Ce(1) is bonded in a 18-coordinate geometry to three equivalent Ni(1), twelve equivalent Ni(2), and three equivalent Zn(1) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to three equivalent Ce(1), six equivalent Ni(2), and three equivalent Zn(1) atoms to form NiCe3Zn3Ni6 cuboctahedra that share corners with nine equivalent Zn(1)Ce3Ni9 cuboctahedra, corners with twelve equivalent Ni(2)Ce4Zn2Ni6 cuboctahedra, edges with six equivalent Ni(1)Ce3Zn3Ni6 cuboctahedra, faces with two equivalent Ni(1)Ce3Zn3Ni6 cuboctahedra, faces with three equivalent Zn(1)Ce3Ni9 cuboctahedra, and faces with eighteen equivalent Ni(2)Ce4Zn2Ni6 cuboctahedra. In the second Ni site, Ni(2) is bonded to four equivalent Ce(1), two equivalent Ni(1), four equivalent Ni(2), and two equivalent Zn(1) atoms to form distorted NiCe4Zn2Ni6 cuboctahedra that share corners with four equivalent Ni(1)Ce3Zn3Ni6 cuboctahedra, corners with four equivalent Zn(1)Ce3Ni9 cuboctahedra, corners with sixteen equivalent Ni(2)Ce4Zn2Ni6 cuboctahedra, edges with ten equivalent Ni(2)Ce4Zn2Ni6 cuboctahedra, faces with six equivalent Ni(1)Ce3Zn3Ni6 cuboctahedra, faces with six equivalent Zn(1)Ce3Ni9 cuboctahedra, and faces with ten equivalent Ni(2)Ce4Zn2Ni6 cuboctahedra. Zn(1) is bonded to three equivalent Ce(1), three equivalent Ni(1), and six equivalent Ni(2) atoms to form distorted ZnCe3Ni9 cuboctahedra that share corners with nine equivalent Ni(1)Ce3Zn3Ni6 cuboctahedra, corners with twelve equivalent Ni(2)Ce4Zn2Ni6 cuboctahedra, edges with six equivalent Zn(1)Ce3Ni9 cuboctahedra, faces with two equivalent Zn(1)Ce3Ni9 cuboctahedra, faces with three equivalent Ni(1)Ce3Zn3Ni6 cuboctahedra, and faces with eighteen equivalent Ni(2)Ce4Zn2Ni6 cuboctahedra. is represented by the CIF file [CIF]
data_CeZnNi4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.990
_cell_length_b   4.990
_cell_length_c   3.893
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   83.958
_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
  Ce  Ce0  1  0.000  0.000  0.000  1.0
  Zn  Zn1  1  0.333  0.667  0.000  1.0
  Ni  Ni2  1  0.667  0.333  0.000  1.0
  Ni  Ni3  1  0.994  0.497  0.500  1.0
  Ni  Ni4  1  0.503  0.497  0.500  1.0
  Ni  Ni5  1  0.503  0.006  0.500  1.0
[/CIF]
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The compound described by CeNi4Zn crystallizes in the hexagonal P-6m2 space group. Ce(1) is bonded in a 18-coordinate geometry to three equivalent Ni(1), twelve equivalent Ni(2), and three equivalent Zn(1) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to three equivalent Ce(1), six equivalent Ni(2), and three equivalent Zn(1) atoms to form NiCe3Zn3Ni6 cuboctahedra that share corners with nine equivalent Zn(1)Ce3Ni9 cuboctahedra, corners with twelve equivalent Ni(2)Ce4Zn2Ni6 cuboctahedra, edges with six equivalent Ni(1)Ce3Zn3Ni6 cuboctahedra, faces with two equivalent Ni(1)Ce3Zn3Ni6 cuboctahedra, faces with three equivalent Zn(1)Ce3Ni9 cuboctahedra, and faces with eighteen equivalent Ni(2)Ce4Zn2Ni6 cuboctahedra. In the second Ni site, Ni(2) is bonded to four equivalent Ce(1), two equivalent Ni(1), four equivalent Ni(2), and two equivalent Zn(1) atoms to form distorted NiCe4Zn2Ni6 cuboctahedra that share corners with four equivalent Ni(1)Ce3Zn3Ni6 cuboctahedra, corners with four equivalent Zn(1)Ce3Ni9 cuboctahedra, corners with sixteen equivalent Ni(2)Ce4Zn2Ni6 cuboctahedra, edges with ten equivalent Ni(2)Ce4Zn2Ni6 cuboctahedra, faces with six equivalent Ni(1)Ce3Zn3Ni6 cuboctahedra, faces with six equivalent Zn(1)Ce3Ni9 cuboctahedra, and faces with ten equivalent Ni(2)Ce4Zn2Ni6 cuboctahedra. Zn(1) is bonded to three equivalent Ce(1), three equivalent Ni(1), and six equivalent Ni(2) atoms to form distorted ZnCe3Ni9 cuboctahedra that share corners with nine equivalent Ni(1)Ce3Zn3Ni6 cuboctahedra, corners with twelve equivalent Ni(2)Ce4Zn2Ni6 cuboctahedra, edges with six equivalent Zn(1)Ce3Ni9 cuboctahedra, faces with two equivalent Zn(1)Ce3Ni9 cuboctahedra, faces with three equivalent Ni(1)Ce3Zn3Ni6 cuboctahedra, and faces with eighteen equivalent Ni(2)Ce4Zn2Ni6 cuboctahedra. is represented by the CIF file [CIF]
data_CeZnNi4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.990
_cell_length_b   4.990
_cell_length_c   3.893
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   83.958
_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
  Ce  Ce0  1  0.000  0.000  0.000  1.0
  Zn  Zn1  1  0.333  0.667  0.000  1.0
  Ni  Ni2  1  0.667  0.333  0.000  1.0
  Ni  Ni3  1  0.994  0.497  0.500  1.0
  Ni  Ni4  1  0.503  0.497  0.500  1.0
  Ni  Ni5  1  0.503  0.006  0.500  1.0
[/CIF]
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