The compound described by La3Ni3Zn crystallizes in the orthorhombic Cmcm space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 9-coordinate geometry to two equivalent Ni(1), four equivalent Ni(2), and three equivalent Zn(1) atoms. In the second La site, La(2) is bonded in a 9-coordinate geometry to three equivalent Ni(1), four equivalent Ni(2), and two equivalent Zn(1) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 9-coordinate geometry to three equivalent La(2), four equivalent La(1), and two equivalent Ni(2) atoms. In the second Ni site, Ni(2) is bonded in a 10-coordinate geometry to two equivalent La(2), four equivalent La(1), one Ni(1), one Ni(2), and two equivalent Zn(1) atoms. Zn(1) is bonded to two equivalent La(2), six equivalent La(1), and four equivalent Ni(2) atoms to form a mixture of distorted edge, face, and corner-sharing ZnLa8Ni4 cuboctahedra. is represented by the CIF card [CIF]
data_La3ZnNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.541
_cell_length_b   5.541
_cell_length_c   13.629
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   134.647
_symmetry_Int_Tables_number   1
_cell_volume   297.698
_cell_formula_units_Z   2
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  0.289  0.711  0.396  1.0
  La  La1  1  0.711  0.289  0.604  1.0
  La  La2  1  0.993  0.007  0.750  1.0
  La  La3  1  0.007  0.993  0.250  1.0
  La  La4  1  0.711  0.289  0.896  1.0
  La  La5  1  0.289  0.711  0.104  1.0
  Zn  Zn6  1  0.000  0.000  0.500  1.0
  Zn  Zn7  1  0.000  0.000  0.000  1.0
  Ni  Ni8  1  0.708  0.292  0.250  1.0
  Ni  Ni9  1  0.292  0.708  0.750  1.0
  Ni  Ni10  1  0.426  0.574  0.914  1.0
  Ni  Ni11  1  0.574  0.426  0.086  1.0
  Ni  Ni12  1  0.574  0.426  0.414  1.0
  Ni  Ni13  1  0.426  0.574  0.586  1.0
[/CIF]
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The compound described by La3Ni3Zn crystallizes in the orthorhombic Cmcm space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 9-coordinate geometry to two equivalent Ni(1), four equivalent Ni(2), and three equivalent Zn(1) atoms. In the second La site, La(2) is bonded in a 9-coordinate geometry to three equivalent Ni(1), four equivalent Ni(2), and two equivalent Zn(1) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 9-coordinate geometry to three equivalent La(2), four equivalent La(1), and two equivalent Ni(2) atoms. In the second Ni site, Ni(2) is bonded in a 10-coordinate geometry to two equivalent La(2), four equivalent La(1), one Ni(1), one Ni(2), and two equivalent Zn(1) atoms. Zn(1) is bonded to two equivalent La(2), six equivalent La(1), and four equivalent Ni(2) atoms to form a mixture of distorted edge, face, and corner-sharing ZnLa8Ni4 cuboctahedra. is represented by the CIF card [CIF]
data_La3ZnNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.541
_cell_length_b   5.541
_cell_length_c   13.629
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   134.647
_symmetry_Int_Tables_number   1
_cell_volume   297.698
_cell_formula_units_Z   2
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  0.289  0.711  0.396  1.0
  La  La1  1  0.711  0.289  0.604  1.0
  La  La2  1  0.993  0.007  0.750  1.0
  La  La3  1  0.007  0.993  0.250  1.0
  La  La4  1  0.711  0.289  0.896  1.0
  La  La5  1  0.289  0.711  0.104  1.0
  Zn  Zn6  1  0.000  0.000  0.500  1.0
  Zn  Zn7  1  0.000  0.000  0.000  1.0
  Ni  Ni8  1  0.708  0.292  0.250  1.0
  Ni  Ni9  1  0.292  0.708  0.750  1.0
  Ni  Ni10  1  0.426  0.574  0.914  1.0
  Ni  Ni11  1  0.574  0.426  0.086  1.0
  Ni  Ni12  1  0.574  0.426  0.414  1.0
  Ni  Ni13  1  0.426  0.574  0.586  1.0
[/CIF]
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