The material described by Ca(CrAl10)2 crystallizes in the cubic Fd-3m space group. Ca(1) is bonded in a 16-coordinate geometry to four equivalent Al(3) and twelve equivalent Al(2) atoms. Cr(1) is bonded to six equivalent Al(1) and six equivalent Al(2) atoms to form CrAl12 cuboctahedra that share corners with six equivalent Cr(1)Al12 cuboctahedra, edges with eighteen equivalent Al(2)CaAl10Cr cuboctahedra, and faces with six equivalent Al(2)CaAl10Cr cuboctahedra. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded in a 12-coordinate geometry to two equivalent Cr(1), four equivalent Al(1), and six equivalent Al(2) atoms. In the second Al site, Al(3) is bonded in a linear geometry to two equivalent Ca(1) and twelve equivalent Al(2) atoms. In the third Al site, Al(2) is bonded to one Ca(1), one Cr(1), two equivalent Al(3), three equivalent Al(1), and five equivalent Al(2) atoms to form distorted AlCaAl10Cr cuboctahedra that share corners with fifteen equivalent Al(2)CaAl10Cr cuboctahedra, edges with two equivalent Al(2)CaAl10Cr cuboctahedra, edges with three equivalent Cr(1)Al12 cuboctahedra,  a faceface with one Cr(1)Al12 cuboctahedra, and faces with fifteen equivalent Al(2)CaAl10Cr cuboctahedra. is represented by the CIF card [CIF]
data_Ca(Al10Cr)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.214
_cell_length_b   10.214
_cell_length_c   10.214
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   753.554
_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
  Ca  Ca0  1  0.500  0.500  0.500  1.0
  Ca  Ca1  1  0.750  0.750  0.750  1.0
  Al  Al2  1  0.863  0.863  0.137  1.0
  Al  Al3  1  0.137  0.137  0.863  1.0
  Al  Al4  1  0.863  0.137  0.863  1.0
  Al  Al5  1  0.137  0.863  0.137  1.0
  Al  Al6  1  0.137  0.863  0.863  1.0
  Al  Al7  1  0.863  0.137  0.137  1.0
  Al  Al8  1  0.387  0.387  0.113  1.0
  Al  Al9  1  0.113  0.113  0.387  1.0
  Al  Al10  1  0.387  0.113  0.387  1.0
  Al  Al11  1  0.113  0.387  0.113  1.0
  Al  Al12  1  0.113  0.387  0.387  1.0
  Al  Al13  1  0.387  0.113  0.113  1.0
  Al  Al14  1  0.569  0.299  0.299  1.0
  Al  Al15  1  0.299  0.569  0.833  1.0
  Al  Al16  1  0.299  0.833  0.569  1.0
  Al  Al17  1  0.833  0.299  0.299  1.0
  Al  Al18  1  0.299  0.299  0.569  1.0
  Al  Al19  1  0.569  0.833  0.299  1.0
  Al  Al20  1  0.833  0.569  0.299  1.0
  Al  Al21  1  0.299  0.299  0.833  1.0
  Al  Al22  1  0.299  0.569  0.299  1.0
  Al  Al23  1  0.833  0.299  0.569  1.0
  Al  Al24  1  0.569  0.299  0.833  1.0
  Al  Al25  1  0.299  0.833  0.299  1.0
  Al  Al26  1  0.681  0.951  0.951  1.0
  Al  Al27  1  0.951  0.681  0.417  1.0
  Al  Al28  1  0.951  0.417  0.681  1.0
  Al  Al29  1  0.417  0.951  0.951  1.0
  Al  Al30  1  0.951  0.951  0.681  1.0
  Al  Al31  1  0.681  0.417  0.951  1.0
  Al  Al32  1  0.417  0.681  0.951  1.0
  Al  Al33  1  0.951  0.951  0.417  1.0
  Al  Al34  1  0.951  0.681  0.951  1.0
  Al  Al35  1  0.417  0.951  0.681  1.0
  Al  Al36  1  0.681  0.951  0.417  1.0
  Al  Al37  1  0.951  0.417  0.951  1.0
  Al  Al38  1  0.125  0.625  0.625  1.0
  Al  Al39  1  0.625  0.125  0.625  1.0
  Al  Al40  1  0.625  0.625  0.125  1.0
  Al  Al41  1  0.625  0.625  0.625  1.0
  Cr  Cr42  1  0.625  0.125  0.125  1.0
  Cr  Cr43  1  0.125  0.625  0.125  1.0
  Cr  Cr44  1  0.125  0.125  0.625  1.0
  Cr  Cr45  1  0.125  0.125  0.125  1.0
[/CIF]
.
The material described by Ca(CrAl10)2 crystallizes in the cubic Fd-3m space group. Ca(1) is bonded in a 16-coordinate geometry to four equivalent Al(3) and twelve equivalent Al(2) atoms. Cr(1) is bonded to six equivalent Al(1) and six equivalent Al(2) atoms to form CrAl12 cuboctahedra that share corners with six equivalent Cr(1)Al12 cuboctahedra, edges with eighteen equivalent Al(2)CaAl10Cr cuboctahedra, and faces with six equivalent Al(2)CaAl10Cr cuboctahedra. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded in a 12-coordinate geometry to two equivalent Cr(1), four equivalent Al(1), and six equivalent Al(2) atoms. In the second Al site, Al(3) is bonded in a linear geometry to two equivalent Ca(1) and twelve equivalent Al(2) atoms. In the third Al site, Al(2) is bonded to one Ca(1), one Cr(1), two equivalent Al(3), three equivalent Al(1), and five equivalent Al(2) atoms to form distorted AlCaAl10Cr cuboctahedra that share corners with fifteen equivalent Al(2)CaAl10Cr cuboctahedra, edges with two equivalent Al(2)CaAl10Cr cuboctahedra, edges with three equivalent Cr(1)Al12 cuboctahedra,  a faceface with one Cr(1)Al12 cuboctahedra, and faces with fifteen equivalent Al(2)CaAl10Cr cuboctahedra. is represented by the CIF card [CIF]
data_Ca(Al10Cr)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.214
_cell_length_b   10.214
_cell_length_c   10.214
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   753.554
_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
  Ca  Ca0  1  0.500  0.500  0.500  1.0
  Ca  Ca1  1  0.750  0.750  0.750  1.0
  Al  Al2  1  0.863  0.863  0.137  1.0
  Al  Al3  1  0.137  0.137  0.863  1.0
  Al  Al4  1  0.863  0.137  0.863  1.0
  Al  Al5  1  0.137  0.863  0.137  1.0
  Al  Al6  1  0.137  0.863  0.863  1.0
  Al  Al7  1  0.863  0.137  0.137  1.0
  Al  Al8  1  0.387  0.387  0.113  1.0
  Al  Al9  1  0.113  0.113  0.387  1.0
  Al  Al10  1  0.387  0.113  0.387  1.0
  Al  Al11  1  0.113  0.387  0.113  1.0
  Al  Al12  1  0.113  0.387  0.387  1.0
  Al  Al13  1  0.387  0.113  0.113  1.0
  Al  Al14  1  0.569  0.299  0.299  1.0
  Al  Al15  1  0.299  0.569  0.833  1.0
  Al  Al16  1  0.299  0.833  0.569  1.0
  Al  Al17  1  0.833  0.299  0.299  1.0
  Al  Al18  1  0.299  0.299  0.569  1.0
  Al  Al19  1  0.569  0.833  0.299  1.0
  Al  Al20  1  0.833  0.569  0.299  1.0
  Al  Al21  1  0.299  0.299  0.833  1.0
  Al  Al22  1  0.299  0.569  0.299  1.0
  Al  Al23  1  0.833  0.299  0.569  1.0
  Al  Al24  1  0.569  0.299  0.833  1.0
  Al  Al25  1  0.299  0.833  0.299  1.0
  Al  Al26  1  0.681  0.951  0.951  1.0
  Al  Al27  1  0.951  0.681  0.417  1.0
  Al  Al28  1  0.951  0.417  0.681  1.0
  Al  Al29  1  0.417  0.951  0.951  1.0
  Al  Al30  1  0.951  0.951  0.681  1.0
  Al  Al31  1  0.681  0.417  0.951  1.0
  Al  Al32  1  0.417  0.681  0.951  1.0
  Al  Al33  1  0.951  0.951  0.417  1.0
  Al  Al34  1  0.951  0.681  0.951  1.0
  Al  Al35  1  0.417  0.951  0.681  1.0
  Al  Al36  1  0.681  0.951  0.417  1.0
  Al  Al37  1  0.951  0.417  0.951  1.0
  Al  Al38  1  0.125  0.625  0.625  1.0
  Al  Al39  1  0.625  0.125  0.625  1.0
  Al  Al40  1  0.625  0.625  0.125  1.0
  Al  Al41  1  0.625  0.625  0.625  1.0
  Cr  Cr42  1  0.625  0.125  0.125  1.0
  Cr  Cr43  1  0.125  0.625  0.125  1.0
  Cr  Cr44  1  0.125  0.125  0.625  1.0
  Cr  Cr45  1  0.125  0.125  0.125  1.0
[/CIF]
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