The material described by ZrNiAl crystallizes in the orthorhombic Imma space group. Zr(1) is bonded in a 10-coordinate geometry to four equivalent Ni(1) and six equivalent Al(1) atoms. Ni(1) is bonded in a 8-coordinate geometry to four equivalent Zr(1), two equivalent Ni(1), and two equivalent Al(1) atoms. Al(1) is bonded in a 10-coordinate geometry to six equivalent Zr(1), two equivalent Ni(1), and two equivalent Al(1) atoms. is represented by the CIF file [CIF]
data_ZrAlNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.333
_cell_length_b   5.333
_cell_length_c   5.333
_cell_angle_alpha   69.649
_cell_angle_beta   88.068
_cell_angle_gamma   128.208
_symmetry_Int_Tables_number   1
_cell_volume   105.149
_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
  Zr  Zr0  1  0.750  0.375  0.875  1.0
  Zr  Zr1  1  0.250  0.375  0.375  1.0
  Al  Al2  1  0.500  0.767  0.733  1.0
  Al  Al3  1  0.000  0.983  0.017  1.0
  Ni  Ni4  1  0.250  0.875  0.375  1.0
  Ni  Ni5  1  0.750  0.375  0.375  1.0
[/CIF]
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The material described by ZrNiAl crystallizes in the orthorhombic Imma space group. Zr(1) is bonded in a 10-coordinate geometry to four equivalent Ni(1) and six equivalent Al(1) atoms. Ni(1) is bonded in a 8-coordinate geometry to four equivalent Zr(1), two equivalent Ni(1), and two equivalent Al(1) atoms. Al(1) is bonded in a 10-coordinate geometry to six equivalent Zr(1), two equivalent Ni(1), and two equivalent Al(1) atoms. is represented by the CIF file [CIF]
data_ZrAlNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.333
_cell_length_b   5.333
_cell_length_c   5.333
_cell_angle_alpha   69.649
_cell_angle_beta   88.068
_cell_angle_gamma   128.208
_symmetry_Int_Tables_number   1
_cell_volume   105.149
_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
  Zr  Zr0  1  0.750  0.375  0.875  1.0
  Zr  Zr1  1  0.250  0.375  0.375  1.0
  Al  Al2  1  0.500  0.767  0.733  1.0
  Al  Al3  1  0.000  0.983  0.017  1.0
  Ni  Ni4  1  0.250  0.875  0.375  1.0
  Ni  Ni5  1  0.750  0.375  0.375  1.0
[/CIF]
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