The material structure described by LaNi4Zn crystallizes in the hexagonal P-6m2 space group. La(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 La(1), six equivalent Ni(2), and three equivalent Zn(1) atoms to form NiLa3Zn3Ni6 cuboctahedra that share corners with nine equivalent Zn(1)La3Ni9 cuboctahedra, corners with twelve equivalent Ni(2)La4Zn2Ni6 cuboctahedra, edges with six equivalent Ni(1)La3Zn3Ni6 cuboctahedra, faces with two equivalent Ni(1)La3Zn3Ni6 cuboctahedra, faces with three equivalent Zn(1)La3Ni9 cuboctahedra, and faces with eighteen equivalent Ni(2)La4Zn2Ni6 cuboctahedra. In the second Ni site, Ni(2) is bonded to four equivalent La(1), two equivalent Ni(1), four equivalent Ni(2), and two equivalent Zn(1) atoms to form distorted NiLa4Zn2Ni6 cuboctahedra that share corners with four equivalent Ni(1)La3Zn3Ni6 cuboctahedra, corners with four equivalent Zn(1)La3Ni9 cuboctahedra, corners with sixteen equivalent Ni(2)La4Zn2Ni6 cuboctahedra, edges with ten equivalent Ni(2)La4Zn2Ni6 cuboctahedra, faces with six equivalent Ni(1)La3Zn3Ni6 cuboctahedra, faces with six equivalent Zn(1)La3Ni9 cuboctahedra, and faces with ten equivalent Ni(2)La4Zn2Ni6 cuboctahedra. Zn(1) is bonded to three equivalent La(1), three equivalent Ni(1), and six equivalent Ni(2) atoms to form distorted ZnLa3Ni9 cuboctahedra that share corners with nine equivalent Ni(1)La3Zn3Ni6 cuboctahedra, corners with twelve equivalent Ni(2)La4Zn2Ni6 cuboctahedra, edges with six equivalent Zn(1)La3Ni9 cuboctahedra, faces with two equivalent Zn(1)La3Ni9 cuboctahedra, faces with three equivalent Ni(1)La3Zn3Ni6 cuboctahedra, and faces with eighteen equivalent Ni(2)La4Zn2Ni6 cuboctahedra. is represented by the CIF card [CIF]
data_LaZnNi4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.909
_cell_length_b   5.075
_cell_length_c   5.075
_cell_angle_alpha   119.995
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   87.205
_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
  La  La0  1  0.000  1.000  0.000  1.0
  Zn  Zn1  1  0.000  0.333  0.667  1.0
  Ni  Ni2  1  0.000  0.667  0.333  1.0
  Ni  Ni3  1  0.500  0.503  0.006  1.0
  Ni  Ni4  1  0.500  0.503  0.497  1.0
  Ni  Ni5  1  0.500  0.994  0.497  1.0
[/CIF]
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The material structure described by LaNi4Zn crystallizes in the hexagonal P-6m2 space group. La(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 La(1), six equivalent Ni(2), and three equivalent Zn(1) atoms to form NiLa3Zn3Ni6 cuboctahedra that share corners with nine equivalent Zn(1)La3Ni9 cuboctahedra, corners with twelve equivalent Ni(2)La4Zn2Ni6 cuboctahedra, edges with six equivalent Ni(1)La3Zn3Ni6 cuboctahedra, faces with two equivalent Ni(1)La3Zn3Ni6 cuboctahedra, faces with three equivalent Zn(1)La3Ni9 cuboctahedra, and faces with eighteen equivalent Ni(2)La4Zn2Ni6 cuboctahedra. In the second Ni site, Ni(2) is bonded to four equivalent La(1), two equivalent Ni(1), four equivalent Ni(2), and two equivalent Zn(1) atoms to form distorted NiLa4Zn2Ni6 cuboctahedra that share corners with four equivalent Ni(1)La3Zn3Ni6 cuboctahedra, corners with four equivalent Zn(1)La3Ni9 cuboctahedra, corners with sixteen equivalent Ni(2)La4Zn2Ni6 cuboctahedra, edges with ten equivalent Ni(2)La4Zn2Ni6 cuboctahedra, faces with six equivalent Ni(1)La3Zn3Ni6 cuboctahedra, faces with six equivalent Zn(1)La3Ni9 cuboctahedra, and faces with ten equivalent Ni(2)La4Zn2Ni6 cuboctahedra. Zn(1) is bonded to three equivalent La(1), three equivalent Ni(1), and six equivalent Ni(2) atoms to form distorted ZnLa3Ni9 cuboctahedra that share corners with nine equivalent Ni(1)La3Zn3Ni6 cuboctahedra, corners with twelve equivalent Ni(2)La4Zn2Ni6 cuboctahedra, edges with six equivalent Zn(1)La3Ni9 cuboctahedra, faces with two equivalent Zn(1)La3Ni9 cuboctahedra, faces with three equivalent Ni(1)La3Zn3Ni6 cuboctahedra, and faces with eighteen equivalent Ni(2)La4Zn2Ni6 cuboctahedra. is represented by the CIF card [CIF]
data_LaZnNi4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.909
_cell_length_b   5.075
_cell_length_c   5.075
_cell_angle_alpha   119.995
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   87.205
_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
  La  La0  1  0.000  1.000  0.000  1.0
  Zn  Zn1  1  0.000  0.333  0.667  1.0
  Ni  Ni2  1  0.000  0.667  0.333  1.0
  Ni  Ni3  1  0.500  0.503  0.006  1.0
  Ni  Ni4  1  0.500  0.503  0.497  1.0
  Ni  Ni5  1  0.500  0.994  0.497  1.0
[/CIF]
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