The crystal structure described by La3Zn is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent La sites. In the first La site, La(1) is bonded to four equivalent La(1), four equivalent La(2), and four equivalent Zn(1) atoms to form distorted LaLa8Zn4 cuboctahedra that share corners with twelve equivalent La(1)La8Zn4 cuboctahedra, edges with eight equivalent La(1)La8Zn4 cuboctahedra, edges with eight equivalent Zn(1)La12 cuboctahedra, faces with four equivalent Zn(1)La12 cuboctahedra, and faces with ten equivalent La(1)La8Zn4 cuboctahedra. In the second La site, La(2) is bonded in a distorted square co-planar geometry to eight equivalent La(1) and four equivalent Zn(1) atoms. Zn(1) is bonded to four equivalent La(2) and eight equivalent La(1) atoms to form ZnLa12 cuboctahedra that share corners with four equivalent Zn(1)La12 cuboctahedra, edges with eight equivalent Zn(1)La12 cuboctahedra, edges with sixteen equivalent La(1)La8Zn4 cuboctahedra, faces with four equivalent Zn(1)La12 cuboctahedra, and faces with eight equivalent La(1)La8Zn4 cuboctahedra. is represented by the CIF card [CIF]
data_La3Zn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.146
_cell_length_b   6.146
_cell_length_c   6.146
_cell_angle_alpha   133.270
_cell_angle_beta   133.270
_cell_angle_gamma   68.231
_symmetry_Int_Tables_number   1
_cell_volume   120.948
_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  0.750  0.250  0.500  1.0
  La  La1  1  0.250  0.750  0.500  1.0
  La  La2  1  0.500  0.500  0.000  1.0
  Zn  Zn3  1  0.000  0.000  0.000  1.0
[/CIF]
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The crystal structure described by La3Zn is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent La sites. In the first La site, La(1) is bonded to four equivalent La(1), four equivalent La(2), and four equivalent Zn(1) atoms to form distorted LaLa8Zn4 cuboctahedra that share corners with twelve equivalent La(1)La8Zn4 cuboctahedra, edges with eight equivalent La(1)La8Zn4 cuboctahedra, edges with eight equivalent Zn(1)La12 cuboctahedra, faces with four equivalent Zn(1)La12 cuboctahedra, and faces with ten equivalent La(1)La8Zn4 cuboctahedra. In the second La site, La(2) is bonded in a distorted square co-planar geometry to eight equivalent La(1) and four equivalent Zn(1) atoms. Zn(1) is bonded to four equivalent La(2) and eight equivalent La(1) atoms to form ZnLa12 cuboctahedra that share corners with four equivalent Zn(1)La12 cuboctahedra, edges with eight equivalent Zn(1)La12 cuboctahedra, edges with sixteen equivalent La(1)La8Zn4 cuboctahedra, faces with four equivalent Zn(1)La12 cuboctahedra, and faces with eight equivalent La(1)La8Zn4 cuboctahedra. is represented by the CIF card [CIF]
data_La3Zn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.146
_cell_length_b   6.146
_cell_length_c   6.146
_cell_angle_alpha   133.270
_cell_angle_beta   133.270
_cell_angle_gamma   68.231
_symmetry_Int_Tables_number   1
_cell_volume   120.948
_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  0.750  0.250  0.500  1.0
  La  La1  1  0.250  0.750  0.500  1.0
  La  La2  1  0.500  0.500  0.000  1.0
  Zn  Zn3  1  0.000  0.000  0.000  1.0
[/CIF]
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