Materials Data on Pr3Ga10Ni by Materials Project
Pr3NiGa10 crystallizes in the orthorhombic Pmmm space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded to twelve Ga atoms to form a mixture of edge and face-sharing PrGa12 cuboctahedra. There are four shorter (3.24 Å) and eight longer (3.28 Å) Pr–Ga bond lengths. In the second Pr site, Pr is bonded in a 4-coordinate geometry to fourteen Ga atoms. There are a spread of Pr–Ga bond distances ranging from 3.19–3.40 Å. Ni is bonded in a body-centered cubic geometry to eight Ga atoms. There are four shorter (2.50 Å) and four longer (2.52 Å) Ni–Ga bond lengths. There are five inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to four equivalent Pr and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.45–2.64 Å. In the second Ga site, Ga is bonded in a 9-coordinate geometry to six Pr and three Ga atoms. Both Ga–Ga bond lengths are 2.46 Å. In the third Ga site, Ga is bonded in a 9-coordinate geometry to six Pr and three Ga atoms. The Ga–Ga bond length is 2.49 Å. In the fourth Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent Pr, two equivalent Ni, and three Ga atoms. The Ga–Ga bond length is 2.61 Å. In the fifth Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent Pr, two equivalent Ni, and three Ga atoms. The Ga–Ga bond length is 2.58 Å.