The material structure described by Dy(CrAl)6 crystallizes in the orthorhombic Immm space group. Dy(1) is bonded in a 20-coordinate geometry to four equivalent Cr(2), eight equivalent Cr(1), two equivalent Al(1), two equivalent Al(2), and four equivalent Al(3) atoms. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent Dy(1), two equivalent Cr(1), two equivalent Cr(2), two equivalent Al(1), two equivalent Al(2), and two equivalent Al(3) atoms to form a mixture of distorted corner, face, and edge-sharing CrDy2Al6Cr4 cuboctahedra. In the second Cr site, Cr(2) is bonded to two equivalent Dy(1), four equivalent Cr(1), two equivalent Al(1), two equivalent Al(2), and two equivalent Al(3) atoms to form a mixture of distorted corner, face, and edge-sharing CrDy2Al6Cr4 cuboctahedra. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded in a 10-coordinate geometry to one Dy(1), two equivalent Cr(2), four equivalent Cr(1), one Al(1), and two equivalent Al(3) atoms. In the second Al site, Al(2) is bonded in a 7-coordinate geometry to one Dy(1), two equivalent Cr(2), four equivalent Cr(1), and two equivalent Al(3) atoms. In the third Al site, Al(3) is bonded in a 12-coordinate geometry to two equivalent Dy(1), two equivalent Cr(2), four equivalent Cr(1), two equivalent Al(1), and two equivalent Al(2) atoms. is represented by the CIF file [CIF]
data_Dy(AlCr)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.064
_cell_length_b   6.696
_cell_length_c   6.696
_cell_angle_alpha   97.538
_cell_angle_beta   112.218
_cell_angle_gamma   67.782
_symmetry_Int_Tables_number   1
_cell_volume   194.560
_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
  Dy  Dy0  1  0.000  0.000  0.000  1.0
  Al  Al1  1  0.653  0.347  0.653  1.0
  Al  Al2  1  0.347  0.653  0.347  1.0
  Al  Al3  1  0.000  0.333  0.333  1.0
  Al  Al4  1  0.000  0.667  0.667  1.0
  Al  Al5  1  0.697  0.803  0.197  1.0
  Al  Al6  1  0.303  0.197  0.803  1.0
  Cr  Cr7  1  0.500  0.000  0.500  1.0
  Cr  Cr8  1  0.000  0.000  0.500  1.0
  Cr  Cr9  1  0.500  0.500  0.000  1.0
  Cr  Cr10  1  0.000  0.500  0.000  1.0
  Cr  Cr11  1  0.500  0.761  0.761  1.0
  Cr  Cr12  1  0.500  0.239  0.239  1.0
[/CIF]
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The material structure described by Dy(CrAl)6 crystallizes in the orthorhombic Immm space group. Dy(1) is bonded in a 20-coordinate geometry to four equivalent Cr(2), eight equivalent Cr(1), two equivalent Al(1), two equivalent Al(2), and four equivalent Al(3) atoms. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent Dy(1), two equivalent Cr(1), two equivalent Cr(2), two equivalent Al(1), two equivalent Al(2), and two equivalent Al(3) atoms to form a mixture of distorted corner, face, and edge-sharing CrDy2Al6Cr4 cuboctahedra. In the second Cr site, Cr(2) is bonded to two equivalent Dy(1), four equivalent Cr(1), two equivalent Al(1), two equivalent Al(2), and two equivalent Al(3) atoms to form a mixture of distorted corner, face, and edge-sharing CrDy2Al6Cr4 cuboctahedra. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded in a 10-coordinate geometry to one Dy(1), two equivalent Cr(2), four equivalent Cr(1), one Al(1), and two equivalent Al(3) atoms. In the second Al site, Al(2) is bonded in a 7-coordinate geometry to one Dy(1), two equivalent Cr(2), four equivalent Cr(1), and two equivalent Al(3) atoms. In the third Al site, Al(3) is bonded in a 12-coordinate geometry to two equivalent Dy(1), two equivalent Cr(2), four equivalent Cr(1), two equivalent Al(1), and two equivalent Al(2) atoms. is represented by the CIF file [CIF]
data_Dy(AlCr)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.064
_cell_length_b   6.696
_cell_length_c   6.696
_cell_angle_alpha   97.538
_cell_angle_beta   112.218
_cell_angle_gamma   67.782
_symmetry_Int_Tables_number   1
_cell_volume   194.560
_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
  Dy  Dy0  1  0.000  0.000  0.000  1.0
  Al  Al1  1  0.653  0.347  0.653  1.0
  Al  Al2  1  0.347  0.653  0.347  1.0
  Al  Al3  1  0.000  0.333  0.333  1.0
  Al  Al4  1  0.000  0.667  0.667  1.0
  Al  Al5  1  0.697  0.803  0.197  1.0
  Al  Al6  1  0.303  0.197  0.803  1.0
  Cr  Cr7  1  0.500  0.000  0.500  1.0
  Cr  Cr8  1  0.000  0.000  0.500  1.0
  Cr  Cr9  1  0.500  0.500  0.000  1.0
  Cr  Cr10  1  0.000  0.500  0.000  1.0
  Cr  Cr11  1  0.500  0.761  0.761  1.0
  Cr  Cr12  1  0.500  0.239  0.239  1.0
[/CIF]
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