Materials Data on La3Ni2Sn7 by Materials Project

La3Ni2Sn7 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded in a 10-coordinate geometry to four equivalent Ni and ten Sn atoms. All La–Ni bond lengths are 3.65 Å. There are a spread of La–Sn bond distances ranging from 3.43–3.57 Å. In the second La site, La is bonded to two equivalent Ni and twelve Sn atoms to form a mixture of distorted corner and face-sharing LaNi2Sn12 cuboctahedra. Both La–Ni bond lengths are 3.56 Å. There are four shorter (3.29 Å) and eight longer (3.40 Å) La–Sn bond lengths. Ni is bonded in a 5-coordinate geometry to five La and five Sn atoms. There are one shorter (2.52 Å) and four longer (2.56 Å) Ni–Sn bond lengths. There are four inequivalent Sn sites. In the first Sn site, Sn is bonded in a 12-coordinate geometry to four La and two equivalent Ni atoms. In the second Sn site, Sn is bonded in a 9-coordinate geometry to six equivalent La, one Ni, and two equivalent Sn atoms. Both Sn–Sn bond lengths are 2.91 Å. In the third Sn site, Sn is bonded in a square co-planar geometry to four equivalent La atoms. In the fourth Sn site, Sn is bonded in a 12-coordinate geometry to four La and two equivalent Ni atoms.