The crystal structure described by La7Ni2Zn crystallizes in the tetragonal P4/mbm space group. There are three inequivalent La sites. In the first La site, La(1) is bonded in a distorted square co-planar geometry to four equivalent Ni(1) atoms. In the second La site, La(2) is bonded in a distorted single-bond geometry to one Ni(1) atom. In the third La site, La(3) is bonded in a 4-coordinate geometry to two equivalent Ni(1) and two equivalent Zn(1) atoms. Ni(1) is bonded in a 7-coordinate geometry to one La(2), two equivalent La(1), and four equivalent La(3) atoms. Zn(1) is bonded in a body-centered cubic geometry to eight equivalent La(3) atoms. is represented by the CIF card [CIF]
data_La7ZnNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.813
_cell_length_b   12.402
_cell_length_c   12.402
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   586.486
_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  0.500  0.000  0.500  1.0
  La  La1  1  0.500  0.500  0.000  1.0
  La  La2  1  0.000  0.323  0.823  1.0
  La  La3  1  0.000  0.677  0.177  1.0
  La  La4  1  0.000  0.177  0.323  1.0
  La  La5  1  0.000  0.823  0.677  1.0
  La  La6  1  0.500  0.558  0.705  1.0
  La  La7  1  0.500  0.442  0.295  1.0
  La  La8  1  0.500  0.942  0.205  1.0
  La  La9  1  0.500  0.058  0.795  1.0
  La  La10  1  0.500  0.705  0.442  1.0
  La  La11  1  0.500  0.295  0.558  1.0
  La  La12  1  0.500  0.205  0.058  1.0
  La  La13  1  0.500  0.795  0.942  1.0
  Zn  Zn14  1  0.000  0.500  0.500  1.0
  Zn  Zn15  1  0.000  0.000  0.000  1.0
  Ni  Ni16  1  0.000  0.129  0.629  1.0
  Ni  Ni17  1  0.000  0.871  0.371  1.0
  Ni  Ni18  1  0.000  0.371  0.129  1.0
  Ni  Ni19  1  0.000  0.629  0.871  1.0
[/CIF]
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The crystal structure described by La7Ni2Zn crystallizes in the tetragonal P4/mbm space group. There are three inequivalent La sites. In the first La site, La(1) is bonded in a distorted square co-planar geometry to four equivalent Ni(1) atoms. In the second La site, La(2) is bonded in a distorted single-bond geometry to one Ni(1) atom. In the third La site, La(3) is bonded in a 4-coordinate geometry to two equivalent Ni(1) and two equivalent Zn(1) atoms. Ni(1) is bonded in a 7-coordinate geometry to one La(2), two equivalent La(1), and four equivalent La(3) atoms. Zn(1) is bonded in a body-centered cubic geometry to eight equivalent La(3) atoms. is represented by the CIF card [CIF]
data_La7ZnNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.813
_cell_length_b   12.402
_cell_length_c   12.402
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   586.486
_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  0.500  0.000  0.500  1.0
  La  La1  1  0.500  0.500  0.000  1.0
  La  La2  1  0.000  0.323  0.823  1.0
  La  La3  1  0.000  0.677  0.177  1.0
  La  La4  1  0.000  0.177  0.323  1.0
  La  La5  1  0.000  0.823  0.677  1.0
  La  La6  1  0.500  0.558  0.705  1.0
  La  La7  1  0.500  0.442  0.295  1.0
  La  La8  1  0.500  0.942  0.205  1.0
  La  La9  1  0.500  0.058  0.795  1.0
  La  La10  1  0.500  0.705  0.442  1.0
  La  La11  1  0.500  0.295  0.558  1.0
  La  La12  1  0.500  0.205  0.058  1.0
  La  La13  1  0.500  0.795  0.942  1.0
  Zn  Zn14  1  0.000  0.500  0.500  1.0
  Zn  Zn15  1  0.000  0.000  0.000  1.0
  Ni  Ni16  1  0.000  0.129  0.629  1.0
  Ni  Ni17  1  0.000  0.871  0.371  1.0
  Ni  Ni18  1  0.000  0.371  0.129  1.0
  Ni  Ni19  1  0.000  0.629  0.871  1.0
[/CIF]
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