The compound described by Gd(CrAl2)4 crystallizes in the tetragonal I4/mmm space group. Gd(1) is bonded in a 20-coordinate geometry to eight equivalent Cr(1), four equivalent Al(2), and eight equivalent Al(1) atoms. Cr(1) is bonded to two equivalent Gd(1), two equivalent Cr(1), four equivalent Al(1), and four equivalent Al(2) atoms to form distorted CrGd2Al8Cr2 cuboctahedra that share corners with eight equivalent Al(1)Gd2Al6Cr4 cuboctahedra, corners with ten equivalent Cr(1)Gd2Al8Cr2 cuboctahedra, edges with four equivalent Cr(1)Gd2Al8Cr2 cuboctahedra, edges with four equivalent Al(1)Gd2Al6Cr4 cuboctahedra, faces with six equivalent Cr(1)Gd2Al8Cr2 cuboctahedra, and faces with eight equivalent Al(1)Gd2Al6Cr4 cuboctahedra. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to two equivalent Gd(1), four equivalent Cr(1), two equivalent Al(1), and four equivalent Al(2) atoms to form distorted AlGd2Al6Cr4 cuboctahedra that share corners with eight equivalent Cr(1)Gd2Al8Cr2 cuboctahedra, corners with ten equivalent Al(1)Gd2Al6Cr4 cuboctahedra, edges with three equivalent Al(1)Gd2Al6Cr4 cuboctahedra, edges with four equivalent Cr(1)Gd2Al8Cr2 cuboctahedra, faces with seven equivalent Al(1)Gd2Al6Cr4 cuboctahedra, and faces with eight equivalent Cr(1)Gd2Al8Cr2 cuboctahedra. In the second Al site, Al(2) is bonded in a 10-coordinate geometry to one Gd(1), four equivalent Cr(1), one Al(2), and four equivalent Al(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Gd(Al2Cr)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.814
_cell_length_b   6.814
_cell_length_c   6.814
_cell_angle_alpha   97.872
_cell_angle_beta   97.872
_cell_angle_gamma   136.558
_symmetry_Int_Tables_number   1
_cell_volume   202.106
_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
  Gd  Gd0  1  0.000  0.000  0.000  1.0
  Al  Al1  1  0.723  0.500  0.223  1.0
  Al  Al2  1  0.500  0.723  0.223  1.0
  Al  Al3  1  0.500  0.277  0.777  1.0
  Al  Al4  1  0.277  0.500  0.777  1.0
  Al  Al5  1  0.662  0.000  0.662  1.0
  Al  Al6  1  0.338  0.000  0.338  1.0
  Al  Al7  1  0.000  0.338  0.338  1.0
  Al  Al8  1  0.000  0.662  0.662  1.0
  Cr  Cr9  1  0.000  0.000  0.500  1.0
  Cr  Cr10  1  0.500  0.000  0.000  1.0
  Cr  Cr11  1  0.000  0.500  0.000  1.0
  Cr  Cr12  1  0.500  0.500  0.500  1.0
[/CIF]
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The compound described by Gd(CrAl2)4 crystallizes in the tetragonal I4/mmm space group. Gd(1) is bonded in a 20-coordinate geometry to eight equivalent Cr(1), four equivalent Al(2), and eight equivalent Al(1) atoms. Cr(1) is bonded to two equivalent Gd(1), two equivalent Cr(1), four equivalent Al(1), and four equivalent Al(2) atoms to form distorted CrGd2Al8Cr2 cuboctahedra that share corners with eight equivalent Al(1)Gd2Al6Cr4 cuboctahedra, corners with ten equivalent Cr(1)Gd2Al8Cr2 cuboctahedra, edges with four equivalent Cr(1)Gd2Al8Cr2 cuboctahedra, edges with four equivalent Al(1)Gd2Al6Cr4 cuboctahedra, faces with six equivalent Cr(1)Gd2Al8Cr2 cuboctahedra, and faces with eight equivalent Al(1)Gd2Al6Cr4 cuboctahedra. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to two equivalent Gd(1), four equivalent Cr(1), two equivalent Al(1), and four equivalent Al(2) atoms to form distorted AlGd2Al6Cr4 cuboctahedra that share corners with eight equivalent Cr(1)Gd2Al8Cr2 cuboctahedra, corners with ten equivalent Al(1)Gd2Al6Cr4 cuboctahedra, edges with three equivalent Al(1)Gd2Al6Cr4 cuboctahedra, edges with four equivalent Cr(1)Gd2Al8Cr2 cuboctahedra, faces with seven equivalent Al(1)Gd2Al6Cr4 cuboctahedra, and faces with eight equivalent Cr(1)Gd2Al8Cr2 cuboctahedra. In the second Al site, Al(2) is bonded in a 10-coordinate geometry to one Gd(1), four equivalent Cr(1), one Al(2), and four equivalent Al(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Gd(Al2Cr)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.814
_cell_length_b   6.814
_cell_length_c   6.814
_cell_angle_alpha   97.872
_cell_angle_beta   97.872
_cell_angle_gamma   136.558
_symmetry_Int_Tables_number   1
_cell_volume   202.106
_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
  Gd  Gd0  1  0.000  0.000  0.000  1.0
  Al  Al1  1  0.723  0.500  0.223  1.0
  Al  Al2  1  0.500  0.723  0.223  1.0
  Al  Al3  1  0.500  0.277  0.777  1.0
  Al  Al4  1  0.277  0.500  0.777  1.0
  Al  Al5  1  0.662  0.000  0.662  1.0
  Al  Al6  1  0.338  0.000  0.338  1.0
  Al  Al7  1  0.000  0.338  0.338  1.0
  Al  Al8  1  0.000  0.662  0.662  1.0
  Cr  Cr9  1  0.000  0.000  0.500  1.0
  Cr  Cr10  1  0.500  0.000  0.000  1.0
  Cr  Cr11  1  0.000  0.500  0.000  1.0
  Cr  Cr12  1  0.500  0.500  0.500  1.0
[/CIF]
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