The crystal structure described by ZrAlW is half-Heusler structured and crystallizes in the cubic F-43m space group. Zr(1) is bonded to four equivalent W(1) atoms to form distorted ZrW4 tetrahedra that share corners with four equivalent Al(1)W4 tetrahedra, corners with twelve equivalent Zr(1)W4 tetrahedra, and edges with six equivalent Al(1)W4 tetrahedra. W(1) is bonded in a body-centered cubic geometry to four equivalent Zr(1) and four equivalent Al(1) atoms. Al(1) is bonded to four equivalent W(1) atoms to form distorted AlW4 tetrahedra that share corners with four equivalent Zr(1)W4 tetrahedra, corners with twelve equivalent Al(1)W4 tetrahedra, and edges with six equivalent Zr(1)W4 tetrahedra. is represented by the CIF file [CIF]
data_ZrAlW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.500
_cell_length_b   4.500
_cell_length_c   4.500
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   64.454
_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
  Zr  Zr0  1  0.000  0.000  0.000  1.0
  Al  Al1  1  0.500  0.500  0.500  1.0
  W  W2  1  0.750  0.750  0.750  1.0
[/CIF]
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The crystal structure described by ZrAlW is half-Heusler structured and crystallizes in the cubic F-43m space group. Zr(1) is bonded to four equivalent W(1) atoms to form distorted ZrW4 tetrahedra that share corners with four equivalent Al(1)W4 tetrahedra, corners with twelve equivalent Zr(1)W4 tetrahedra, and edges with six equivalent Al(1)W4 tetrahedra. W(1) is bonded in a body-centered cubic geometry to four equivalent Zr(1) and four equivalent Al(1) atoms. Al(1) is bonded to four equivalent W(1) atoms to form distorted AlW4 tetrahedra that share corners with four equivalent Zr(1)W4 tetrahedra, corners with twelve equivalent Al(1)W4 tetrahedra, and edges with six equivalent Zr(1)W4 tetrahedra. is represented by the CIF file [CIF]
data_ZrAlW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.500
_cell_length_b   4.500
_cell_length_c   4.500
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   64.454
_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
  Zr  Zr0  1  0.000  0.000  0.000  1.0
  Al  Al1  1  0.500  0.500  0.500  1.0
  W  W2  1  0.750  0.750  0.750  1.0
[/CIF]
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