ZrMn6GaSn5 crystallizes in the hexagonal P-6m2 space group. Zr(1) is bonded to three equivalent Ga(1), two equivalent Sn(1), and three equivalent Sn(4) atoms to form distorted ZrGa3Sn5 hexagonal bipyramids that share corners with three equivalent Ga(1)Zr3Mn6Sn3 cuboctahedra, corners with three equivalent Sn(4)Zr3Mn6Ga3 cuboctahedra, edges with three equivalent Ga(1)Zr3Mn6Sn3 cuboctahedra, edges with three equivalent Sn(4)Zr3Mn6Ga3 cuboctahedra, and edges with six equivalent Zr(1)Ga3Sn5 hexagonal bipyramids. Mn(1) is bonded in a 6-coordinate geometry to one Ga(1), one Sn(2), one Sn(3), one Sn(4), and two equivalent Sn(1) atoms. Ga(1) is bonded to three equivalent Zr(1), six equivalent Mn(1), and three equivalent Sn(4) atoms to form distorted GaZr3Mn6Sn3 cuboctahedra that share corners with three equivalent Sn(4)Zr3Mn6Ga3 cuboctahedra, corners with three equivalent Zr(1)Ga3Sn5 hexagonal bipyramids, edges with six equivalent Ga(1)Zr3Mn6Sn3 cuboctahedra, edges with three equivalent Zr(1)Ga3Sn5 hexagonal bipyramids, and faces with three equivalent Sn(4)Zr3Mn6Ga3 cuboctahedra. There are four inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 7-coordinate geometry to one Zr(1) and six equivalent Mn(1) atoms. In the second Sn site, Sn(2) is bonded in a 6-coordinate geometry to six equivalent Mn(1) atoms. In the third Sn site, Sn(3) is bonded in a 6-coordinate geometry to six equivalent Mn(1) atoms. In the fourth Sn site, Sn(4) is bonded to three equivalent Zr(1), six equivalent Mn(1), and three equivalent Ga(1) atoms to form distorted SnZr3Mn6Ga3 cuboctahedra that share corners with three equivalent Ga(1)Zr3Mn6Sn3 cuboctahedra, corners with three equivalent Zr(1)Ga3Sn5 hexagonal bipyramids, edges with six equivalent Sn(4)Zr3Mn6Ga3 cuboctahedra, edges with three equivalent Zr(1)Ga3Sn5 hexagonal bipyramids, and faces with three equivalent Ga(1)Zr3Mn6Sn3 cuboctahedra.
ZrMn6GaSn5 crystallizes in the hexagonal P-6m2 space group. Zr(1) is bonded to three equivalent Ga(1), two equivalent Sn(1), and three equivalent Sn(4) atoms to form distorted ZrGa3Sn5 hexagonal bipyramids that share corners with three equivalent Ga(1)Zr3Mn6Sn3 cuboctahedra, corners with three equivalent Sn(4)Zr3Mn6Ga3 cuboctahedra, edges with three equivalent Ga(1)Zr3Mn6Sn3 cuboctahedra, edges with three equivalent Sn(4)Zr3Mn6Ga3 cuboctahedra, and edges with six equivalent Zr(1)Ga3Sn5 hexagonal bipyramids. All Zr(1)-Ga(1) bond lengths are 3.09 Å. Both Zr(1)-Sn(1) bond lengths are 2.92 Å. All Zr(1)-Sn(4) bond lengths are 3.09 Å. Mn(1) is bonded in a 6-coordinate geometry to one Ga(1), one Sn(2), one Sn(3), one Sn(4), and two equivalent Sn(1) atoms. The Mn(1)-Ga(1) bond length is 2.64 Å. The Mn(1)-Sn(2) bond length is 2.78 Å. The Mn(1)-Sn(3) bond length is 2.75 Å. The Mn(1)-Sn(4) bond length is 2.67 Å. Both Mn(1)-Sn(1) bond lengths are 2.78 Å. Ga(1) is bonded to three equivalent Zr(1), six equivalent Mn(1), and three equivalent Sn(4) atoms to form distorted GaZr3Mn6Sn3 cuboctahedra that share corners with three equivalent Sn(4)Zr3Mn6Ga3 cuboctahedra, corners with three equivalent Zr(1)Ga3Sn5 hexagonal bipyramids, edges with six equivalent Ga(1)Zr3Mn6Sn3 cuboctahedra, edges with three equivalent Zr(1)Ga3Sn5 hexagonal bipyramids, and faces with three equivalent Sn(4)Zr3Mn6Ga3 cuboctahedra. All Ga(1)-Sn(4) bond lengths are 3.09 Å. There are four inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 7-coordinate geometry to one Zr(1) and six equivalent Mn(1) atoms. In the second Sn site, Sn(2) is bonded in a 6-coordinate geometry to six equivalent Mn(1) atoms. In the third Sn site, Sn(3) is bonded in a 6-coordinate geometry to six equivalent Mn(1) atoms. In the fourth Sn site, Sn(4) is bonded to three equivalent Zr(1), six equivalent Mn(1), and three equivalent Ga(1) atoms to form distorted SnZr3Mn6Ga3 cuboctahedra that share corners with three equivalent Ga(1)Zr3Mn6Sn3 cuboctahedra, corners with three equivalent Zr(1)Ga3Sn5 hexagonal bipyramids, edges with six equivalent Sn(4)Zr3Mn6Ga3 cuboctahedra, edges with three equivalent Zr(1)Ga3Sn5 hexagonal bipyramids, and faces with three equivalent Ga(1)Zr3Mn6Sn3 cuboctahedra.