CrGa crystallizes in the trigonal R-3m space group. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to six equivalent Cr(3) and six equivalent Ga(2) atoms to form CrCr6Ga6 cuboctahedra that share faces with two equivalent Ga(1)Cr12 cuboctahedra. In the second Cr site, Cr(2) is bonded in a 12-coordinate geometry to two equivalent Cr(2), three equivalent Cr(3), one Ga(1), two equivalent Ga(2), and four equivalent Ga(3) atoms. In the third Cr site, Cr(3) is bonded in a 12-coordinate geometry to one Cr(1), two equivalent Cr(3), three equivalent Cr(2), one Ga(1), two equivalent Ga(3), and three equivalent Ga(2) atoms. There are three inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to six equivalent Cr(2) and six equivalent Cr(3) atoms to form GaCr12 cuboctahedra that share faces with two equivalent Cr(1)Cr6Ga6 cuboctahedra. In the second Ga site, Ga(2) is bonded in a 11-coordinate geometry to one Cr(1), two equivalent Cr(2), three equivalent Cr(3), two equivalent Ga(3), and three equivalent Ga(2) atoms. In the third Ga site, Ga(3) is bonded in a 6-coordinate geometry to two equivalent Cr(3), four equivalent Cr(2), and two equivalent Ga(2) atoms.
CrGa crystallizes in the trigonal R-3m space group. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to six equivalent Cr(3) and six equivalent Ga(2) atoms to form CrCr6Ga6 cuboctahedra that share faces with two equivalent Ga(1)Cr12 cuboctahedra. All Cr(1)-Cr(3) bond lengths are 2.53 Å. All Cr(1)-Ga(2) bond lengths are 2.64 Å. In the second Cr site, Cr(2) is bonded in a 12-coordinate geometry to two equivalent Cr(2), three equivalent Cr(3), one Ga(1), two equivalent Ga(2), and four equivalent Ga(3) atoms. Both Cr(2)-Cr(2) bond lengths are 2.84 Å. There are two shorter (2.56 Å) and one longer (2.77 Å) Cr(2)-Cr(3) bond length. The Cr(2)-Ga(1) bond length is 2.61 Å. There is one shorter (2.56 Å) and one longer (2.69 Å) Cr(2)-Ga(2) bond length. There are two shorter (2.60 Å) and two longer (2.70 Å) Cr(2)-Ga(3) bond lengths. In the third Cr site, Cr(3) is bonded in a 12-coordinate geometry to one Cr(1), two equivalent Cr(3), three equivalent Cr(2), one Ga(1), two equivalent Ga(3), and three equivalent Ga(2) atoms. Both Cr(3)-Cr(3) bond lengths are 2.75 Å. The Cr(3)-Ga(1) bond length is 2.52 Å. Both Cr(3)-Ga(3) bond lengths are 2.62 Å. There are two shorter (2.64 Å) and one longer (2.73 Å) Cr(3)-Ga(2) bond length. There are three inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to six equivalent Cr(2) and six equivalent Cr(3) atoms to form GaCr12 cuboctahedra that share faces with two equivalent Cr(1)Cr6Ga6 cuboctahedra. In the second Ga site, Ga(2) is bonded in a 11-coordinate geometry to one Cr(1), two equivalent Cr(2), three equivalent Cr(3), two equivalent Ga(3), and three equivalent Ga(2) atoms. Both Ga(2)-Ga(3) bond lengths are 3.02 Å. There is one shorter (2.62 Å) and two longer (2.83 Å) Ga(2)-Ga(2) bond lengths. In the third Ga site, Ga(3) is bonded in a 6-coordinate geometry to two equivalent Cr(3), four equivalent Cr(2), and two equivalent Ga(2) atoms.