The structure described by Cr8ZnAl3 crystallizes in the tetragonal P4/mmm space group. There are four inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 9-coordinate geometry to four equivalent Cr(4), four equivalent Zn(1), and one Al(1) atom. In the second Cr site, Cr(2) is bonded in a 9-coordinate geometry to four equivalent Cr(3), one Al(2), and four equivalent Al(1) atoms. In the third Cr site, Cr(3) is bonded in a 9-coordinate geometry to four equivalent Cr(2), one Al(1), and four equivalent Al(2) atoms. In the fourth Cr site, Cr(4) is bonded in a 9-coordinate geometry to four equivalent Cr(1), one Zn(1), and four equivalent Al(1) atoms. Zn(1) is bonded in a 14-coordinate geometry to two equivalent Cr(4), eight equivalent Cr(1), and four equivalent Zn(1) atoms. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 14-coordinate geometry to one Cr(1), one Cr(3), four equivalent Cr(2), four equivalent Cr(4), and four equivalent Al(1) atoms. In the second Al site, Al(2) is bonded in a 10-coordinate geometry to two equivalent Cr(2) and eight equivalent Cr(3) atoms. is represented by the CIF card [CIF]
data_Al3ZnCr8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.976
_cell_length_b   2.976
_cell_length_c   17.221
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   152.509
_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
  Al  Al0  1  0.500  0.500  0.251  1.0
  Al  Al1  1  0.000  0.000  0.500  1.0
  Al  Al2  1  0.500  0.500  0.749  1.0
  Zn  Zn3  1  0.000  0.000  0.000  1.0
  Cr  Cr4  1  0.500  0.500  0.092  1.0
  Cr  Cr5  1  0.000  0.000  0.342  1.0
  Cr  Cr6  1  0.500  0.500  0.592  1.0
  Cr  Cr7  1  0.000  0.000  0.842  1.0
  Cr  Cr8  1  0.000  0.000  0.158  1.0
  Cr  Cr9  1  0.500  0.500  0.408  1.0
  Cr  Cr10  1  0.000  0.000  0.658  1.0
  Cr  Cr11  1  0.500  0.500  0.908  1.0
[/CIF]
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The structure described by Cr8ZnAl3 crystallizes in the tetragonal P4/mmm space group. There are four inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 9-coordinate geometry to four equivalent Cr(4), four equivalent Zn(1), and one Al(1) atom. In the second Cr site, Cr(2) is bonded in a 9-coordinate geometry to four equivalent Cr(3), one Al(2), and four equivalent Al(1) atoms. In the third Cr site, Cr(3) is bonded in a 9-coordinate geometry to four equivalent Cr(2), one Al(1), and four equivalent Al(2) atoms. In the fourth Cr site, Cr(4) is bonded in a 9-coordinate geometry to four equivalent Cr(1), one Zn(1), and four equivalent Al(1) atoms. Zn(1) is bonded in a 14-coordinate geometry to two equivalent Cr(4), eight equivalent Cr(1), and four equivalent Zn(1) atoms. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 14-coordinate geometry to one Cr(1), one Cr(3), four equivalent Cr(2), four equivalent Cr(4), and four equivalent Al(1) atoms. In the second Al site, Al(2) is bonded in a 10-coordinate geometry to two equivalent Cr(2) and eight equivalent Cr(3) atoms. is represented by the CIF card [CIF]
data_Al3ZnCr8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.976
_cell_length_b   2.976
_cell_length_c   17.221
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   152.509
_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
  Al  Al0  1  0.500  0.500  0.251  1.0
  Al  Al1  1  0.000  0.000  0.500  1.0
  Al  Al2  1  0.500  0.500  0.749  1.0
  Zn  Zn3  1  0.000  0.000  0.000  1.0
  Cr  Cr4  1  0.500  0.500  0.092  1.0
  Cr  Cr5  1  0.000  0.000  0.342  1.0
  Cr  Cr6  1  0.500  0.500  0.592  1.0
  Cr  Cr7  1  0.000  0.000  0.842  1.0
  Cr  Cr8  1  0.000  0.000  0.158  1.0
  Cr  Cr9  1  0.500  0.500  0.408  1.0
  Cr  Cr10  1  0.000  0.000  0.658  1.0
  Cr  Cr11  1  0.500  0.500  0.908  1.0
[/CIF]
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