The structure described by ZrCr3Al crystallizes in the hexagonal P6_3/mmc space group. Zr(1) is bonded to twelve equivalent Cr(1) atoms to form a mixture of distorted face and corner-sharing ZrCr12 cuboctahedra. Cr(1) is bonded in a 8-coordinate geometry to four equivalent Zr(1), two equivalent Cr(1), and two equivalent Al(1) atoms. Al(1) is bonded in a 8-coordinate geometry to six equivalent Cr(1) and two equivalent Al(1) atoms. is represented by the CIF file [CIF]
data_ZrAlCr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.900
_cell_length_b   5.900
_cell_length_c   5.279
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   159.136
_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  0.333  0.667  0.750  1.0
  Zr  Zr1  1  0.667  0.333  0.250  1.0
  Al  Al2  1  0.000  0.000  0.000  1.0
  Al  Al3  1  0.000  0.000  0.500  1.0
  Cr  Cr4  1  0.792  0.208  0.750  1.0
  Cr  Cr5  1  0.792  0.584  0.750  1.0
  Cr  Cr6  1  0.416  0.208  0.750  1.0
  Cr  Cr7  1  0.208  0.792  0.250  1.0
  Cr  Cr8  1  0.208  0.416  0.250  1.0
  Cr  Cr9  1  0.584  0.792  0.250  1.0
[/CIF]
.
The structure described by ZrCr3Al crystallizes in the hexagonal P6_3/mmc space group. Zr(1) is bonded to twelve equivalent Cr(1) atoms to form a mixture of distorted face and corner-sharing ZrCr12 cuboctahedra. Cr(1) is bonded in a 8-coordinate geometry to four equivalent Zr(1), two equivalent Cr(1), and two equivalent Al(1) atoms. Al(1) is bonded in a 8-coordinate geometry to six equivalent Cr(1) and two equivalent Al(1) atoms. is represented by the CIF file [CIF]
data_ZrAlCr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.900
_cell_length_b   5.900
_cell_length_c   5.279
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   159.136
_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  0.333  0.667  0.750  1.0
  Zr  Zr1  1  0.667  0.333  0.250  1.0
  Al  Al2  1  0.000  0.000  0.000  1.0
  Al  Al3  1  0.000  0.000  0.500  1.0
  Cr  Cr4  1  0.792  0.208  0.750  1.0
  Cr  Cr5  1  0.792  0.584  0.750  1.0
  Cr  Cr6  1  0.416  0.208  0.750  1.0
  Cr  Cr7  1  0.208  0.792  0.250  1.0
  Cr  Cr8  1  0.208  0.416  0.250  1.0
  Cr  Cr9  1  0.584  0.792  0.250  1.0
[/CIF]
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