The crystal structure described by BaZrNi is half-Heusler structured and crystallizes in the cubic F-43m space group. Ba(1) is bonded to six equivalent Zr(1) and four equivalent Ni(1) atoms to form distorted BaZr6Ni4 tetrahedra that share corners with four equivalent Zr(1)Ba6Ni4 tetrahedra, corners with six equivalent Ba(1)Zr6Ni4 tetrahedra, edges with six equivalent Zr(1)Ba6Ni4 tetrahedra, and faces with twelve equivalent Ba(1)Zr6Ni4 tetrahedra. Zr(1) is bonded to six equivalent Ba(1) and four equivalent Ni(1) atoms to form distorted ZrBa6Ni4 tetrahedra that share corners with four equivalent Ba(1)Zr6Ni4 tetrahedra, corners with six equivalent Zr(1)Ba6Ni4 tetrahedra, edges with six equivalent Ba(1)Zr6Ni4 tetrahedra, and faces with twelve equivalent Zr(1)Ba6Ni4 tetrahedra. Ni(1) is bonded in a body-centered cubic geometry to four equivalent Ba(1) and four equivalent Zr(1) atoms. is represented by the CIF file [CIF]
data_BaZrNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.903
_cell_length_b   4.903
_cell_length_c   4.903
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   83.333
_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
  Ba  Ba0  1  0.500  0.500  0.500  1.0
  Zr  Zr1  1  0.000  0.000  0.000  1.0
  Ni  Ni2  1  0.750  0.750  0.750  1.0
[/CIF]
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The crystal structure described by BaZrNi is half-Heusler structured and crystallizes in the cubic F-43m space group. Ba(1) is bonded to six equivalent Zr(1) and four equivalent Ni(1) atoms to form distorted BaZr6Ni4 tetrahedra that share corners with four equivalent Zr(1)Ba6Ni4 tetrahedra, corners with six equivalent Ba(1)Zr6Ni4 tetrahedra, edges with six equivalent Zr(1)Ba6Ni4 tetrahedra, and faces with twelve equivalent Ba(1)Zr6Ni4 tetrahedra. Zr(1) is bonded to six equivalent Ba(1) and four equivalent Ni(1) atoms to form distorted ZrBa6Ni4 tetrahedra that share corners with four equivalent Ba(1)Zr6Ni4 tetrahedra, corners with six equivalent Zr(1)Ba6Ni4 tetrahedra, edges with six equivalent Ba(1)Zr6Ni4 tetrahedra, and faces with twelve equivalent Zr(1)Ba6Ni4 tetrahedra. Ni(1) is bonded in a body-centered cubic geometry to four equivalent Ba(1) and four equivalent Zr(1) atoms. is represented by the CIF file [CIF]
data_BaZrNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.903
_cell_length_b   4.903
_cell_length_c   4.903
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   83.333
_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
  Ba  Ba0  1  0.500  0.500  0.500  1.0
  Zr  Zr1  1  0.000  0.000  0.000  1.0
  Ni  Ni2  1  0.750  0.750  0.750  1.0
[/CIF]
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