Materials Data on U2Ga10CoNi by Materials Project

Abstract

U2CoNiGa10 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. U is bonded to twelve Ga atoms to form UGa12 cuboctahedra that share corners with four equivalent UGa12 cuboctahedra, faces with four equivalent UGa12 cuboctahedra, and faces with four equivalent GaU4Ga8 cuboctahedra. There are a spread of U–Ga bond distances ranging from 2.97–3.00 Å. Co is bonded in a body-centered cubic geometry to eight Ga atoms. All Co–Ga bond lengths are 2.49 Å. Ni is bonded in a body-centered cubic geometry to eight Ga atoms. All Ni–Ga bond lengths are 2.51 Å. There are nine inequivalent Ga sites. In the first Ga site, Ga is bonded in a 4-coordinate geometry to two equivalent U, two equivalent Co, and seven Ga atoms. Both Ga–U bond lengths are 2.97 Å. There are a spread of Ga–Ga bond distances ranging from 2.62–3.00 Å. In the second Ga site, Ga is bonded in a 4-coordinate geometry to two equivalent U, two equivalent Ni, and seven Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.66–3.00 Å. In the third Ga site, Ga is bonded in a 4-coordinate geometry to two equivalent U, two equivalent Co, and seven Ga atoms. Both Ga–U bond lengths are 2.97 Å. There are one shorter (2.62 Å) and two longer (2.98 Å) Ga–Ga bond lengths. In the fourth Ga site, Ga is bonded in a 4-coordinate geometry to two equivalent U, two equivalent Ni, and seven Ga atoms. There are one shorter (2.66 Å) and two longer (2.97 Å) Ga–Ga bond lengths. In the fifth Ga site, Ga is bonded in a 4-coordinate geometry to two equivalent U, two equivalent Co, and seven Ga atoms. There are two shorter (2.98 Å) and four longer (3.00 Å) Ga–Ga bond lengths. In the sixth Ga site, Ga is bonded in a 4-coordinate geometry to two equivalent U, two equivalent Ni, and seven Ga atoms. Both Ga–U bond lengths are 2.98 Å. There are two shorter (2.97 Å) and four longer (3.00 Å) Ga–Ga bond lengths. In the seventh Ga site, Ga is bonded in a 4-coordinate geometry to two equivalent U, two equivalent Co, and seven Ga atoms. Both Ga–Ga bond lengths are 2.98 Å. In the eighth Ga site, Ga is bonded in a 4-coordinate geometry to two equivalent U, two equivalent Ni, and seven Ga atoms. Both Ga–U bond lengths are 2.98 Å. Both Ga–Ga bond lengths are 2.97 Å. In the ninth Ga site, Ga is bonded to four equivalent U and eight Ga atoms to form GaU4Ga8 cuboctahedra that share corners with four equivalent GaU4Ga8 cuboctahedra, faces with four equivalent UGa12 cuboctahedra, and faces with four equivalent GaU4Ga8 cuboctahedra.