The structure described by LaNiZn4 crystallizes in the hexagonal P-6m2 space group. La(1) is bonded in a 18-coordinate geometry to three equivalent Ni(1), three equivalent Zn(1), and twelve equivalent Zn(2) atoms. Ni(1) is bonded to three equivalent La(1), three equivalent Zn(1), and six equivalent Zn(2) atoms to form distorted NiLa3Zn9 cuboctahedra that share corners with nine equivalent Zn(1)La3Zn6Ni3 cuboctahedra, corners with twelve equivalent Zn(2)La4Zn6Ni2 cuboctahedra, edges with six equivalent Ni(1)La3Zn9 cuboctahedra, faces with two equivalent Ni(1)La3Zn9 cuboctahedra, faces with three equivalent Zn(1)La3Zn6Ni3 cuboctahedra, and faces with eighteen equivalent Zn(2)La4Zn6Ni2 cuboctahedra. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to three equivalent La(1), three equivalent Ni(1), and six equivalent Zn(2) atoms to form ZnLa3Zn6Ni3 cuboctahedra that share corners with nine equivalent Ni(1)La3Zn9 cuboctahedra, corners with twelve equivalent Zn(2)La4Zn6Ni2 cuboctahedra, edges with six equivalent Zn(1)La3Zn6Ni3 cuboctahedra, faces with two equivalent Zn(1)La3Zn6Ni3 cuboctahedra, faces with three equivalent Ni(1)La3Zn9 cuboctahedra, and faces with eighteen equivalent Zn(2)La4Zn6Ni2 cuboctahedra. In the second Zn site, Zn(2) is bonded to four equivalent La(1), two equivalent Ni(1), two equivalent Zn(1), and four equivalent Zn(2) atoms to form distorted ZnLa4Zn6Ni2 cuboctahedra that share corners with four equivalent Ni(1)La3Zn9 cuboctahedra, corners with four equivalent Zn(1)La3Zn6Ni3 cuboctahedra, corners with sixteen equivalent Zn(2)La4Zn6Ni2 cuboctahedra, edges with ten equivalent Zn(2)La4Zn6Ni2 cuboctahedra, faces with six equivalent Ni(1)La3Zn9 cuboctahedra, faces with six equivalent Zn(1)La3Zn6Ni3 cuboctahedra, and faces with ten equivalent Zn(2)La4Zn6Ni2 cuboctahedra. is represented by the CIF card [CIF]
data_LaZn4Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.288
_cell_length_b   5.288
_cell_length_c   4.199
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   101.663
_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  0.000  0.000  1.0
  Zn  Zn1  1  0.667  0.333  0.000  1.0
  Zn  Zn2  1  0.009  0.504  0.500  1.0
  Zn  Zn3  1  0.496  0.504  0.500  1.0
  Zn  Zn4  1  0.496  0.991  0.500  1.0
  Ni  Ni5  1  0.333  0.667  0.000  1.0
[/CIF]
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The structure described by LaNiZn4 crystallizes in the hexagonal P-6m2 space group. La(1) is bonded in a 18-coordinate geometry to three equivalent Ni(1), three equivalent Zn(1), and twelve equivalent Zn(2) atoms. Ni(1) is bonded to three equivalent La(1), three equivalent Zn(1), and six equivalent Zn(2) atoms to form distorted NiLa3Zn9 cuboctahedra that share corners with nine equivalent Zn(1)La3Zn6Ni3 cuboctahedra, corners with twelve equivalent Zn(2)La4Zn6Ni2 cuboctahedra, edges with six equivalent Ni(1)La3Zn9 cuboctahedra, faces with two equivalent Ni(1)La3Zn9 cuboctahedra, faces with three equivalent Zn(1)La3Zn6Ni3 cuboctahedra, and faces with eighteen equivalent Zn(2)La4Zn6Ni2 cuboctahedra. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to three equivalent La(1), three equivalent Ni(1), and six equivalent Zn(2) atoms to form ZnLa3Zn6Ni3 cuboctahedra that share corners with nine equivalent Ni(1)La3Zn9 cuboctahedra, corners with twelve equivalent Zn(2)La4Zn6Ni2 cuboctahedra, edges with six equivalent Zn(1)La3Zn6Ni3 cuboctahedra, faces with two equivalent Zn(1)La3Zn6Ni3 cuboctahedra, faces with three equivalent Ni(1)La3Zn9 cuboctahedra, and faces with eighteen equivalent Zn(2)La4Zn6Ni2 cuboctahedra. In the second Zn site, Zn(2) is bonded to four equivalent La(1), two equivalent Ni(1), two equivalent Zn(1), and four equivalent Zn(2) atoms to form distorted ZnLa4Zn6Ni2 cuboctahedra that share corners with four equivalent Ni(1)La3Zn9 cuboctahedra, corners with four equivalent Zn(1)La3Zn6Ni3 cuboctahedra, corners with sixteen equivalent Zn(2)La4Zn6Ni2 cuboctahedra, edges with ten equivalent Zn(2)La4Zn6Ni2 cuboctahedra, faces with six equivalent Ni(1)La3Zn9 cuboctahedra, faces with six equivalent Zn(1)La3Zn6Ni3 cuboctahedra, and faces with ten equivalent Zn(2)La4Zn6Ni2 cuboctahedra. is represented by the CIF card [CIF]
data_LaZn4Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.288
_cell_length_b   5.288
_cell_length_c   4.199
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   101.663
_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  0.000  0.000  1.0
  Zn  Zn1  1  0.667  0.333  0.000  1.0
  Zn  Zn2  1  0.009  0.504  0.500  1.0
  Zn  Zn3  1  0.496  0.504  0.500  1.0
  Zn  Zn4  1  0.496  0.991  0.500  1.0
  Ni  Ni5  1  0.333  0.667  0.000  1.0
[/CIF]
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