Materials Data on La10Ga3Co7 by Materials Project

Abstract

La10Co7Ga3 crystallizes in the orthorhombic Pmc2_1 space group. The structure is three-dimensional. there are ten inequivalent La sites. In the first La site, La is bonded in a 8-coordinate geometry to five Co and three Ga atoms. There are a spread of La–Co bond distances ranging from 2.93–3.06 Å. There are two shorter (3.24 Å) and one longer (3.40 Å) La–Ga bond lengths. In the second La site, La is bonded in a 8-coordinate geometry to five Co and three Ga atoms. There are a spread of La–Co bond distances ranging from 2.91–3.01 Å. There are two shorter (3.24 Å) and one longer (3.36 Å) La–Ga bond lengths. In the third La site, La is bonded in a 8-coordinate geometry to six Co and two equivalent Ga atoms. There are a spread of La–Co bond distances ranging from 2.93–3.25 Å. Both La–Ga bond lengths are 3.18 Å. In the fourth La site, La is bonded in a 8-coordinate geometry to seven Co and one Ga atom. There are a spread of La–Co bond distances ranging from 2.99–3.17 Å. The La–Ga bond length is 3.39 Å. In the fifth La site, La is bonded in a 1-coordinate geometry to four Co and two equivalent Ga atoms. There are a spread of La–Co bond distances ranging from 2.79–3.12 Å. Both La–Ga bond lengths are 3.29 Å. In the sixth La site, La is bonded in a 6-coordinate geometry to four Co and two equivalent Ga atoms. There are a spread of La–Co bond distances ranging from 2.84–3.08 Å. Both La–Ga bond lengths are 3.32 Å. In the seventh La site, La is bonded in a 6-coordinate geometry to three Co and three Ga atoms. There are one shorter (2.77 Å) and two longer (3.00 Å) La–Co bond lengths. There are two shorter (3.20 Å) and one longer (3.35 Å) La–Ga bond lengths. In the eighth La site, La is bonded in a 6-coordinate geometry to five Co and one Ga atom. There are a spread of La–Co bond distances ranging from 2.89–3.21 Å. The La–Ga bond length is 3.45 Å. In the ninth La site, La is bonded in a 2-coordinate geometry to three Co and four Ga atoms. There are two shorter (2.86 Å) and one longer (3.67 Å) La–Co bond lengths. There are two shorter (3.16 Å) and two longer (3.18 Å) La–Ga bond lengths. In the tenth La site, La is bonded in a 7-coordinate geometry to four Co and three Ga atoms. There are two shorter (2.93 Å) and two longer (2.96 Å) La–Co bond lengths. There are two shorter (3.25 Å) and one longer (3.50 Å) La–Ga bond lengths. There are seven inequivalent Co sites. In the first Co site, Co is bonded in a 9-coordinate geometry to seven La and two equivalent Co atoms. Both Co–Co bond lengths are 2.34 Å. In the second Co site, Co is bonded in a 9-coordinate geometry to six La and three Co atoms. The Co–Co bond length is 2.44 Å. In the third Co site, Co is bonded in a 9-coordinate geometry to six La and three Co atoms. There are two shorter (2.31 Å) and one longer (2.56 Å) Co–Co bond lengths. In the fourth Co site, Co is bonded in a 9-coordinate geometry to eight La and one Co atom. The Co–Co bond length is 2.55 Å. In the fifth Co site, Co is bonded in a 9-coordinate geometry to six La, two Co, and one Ga atom. The Co–Ga bond length is 2.56 Å. In the sixth Co site, Co is bonded in a 9-coordinate geometry to six La, one Co, and two Ga atoms. There are one shorter (2.53 Å) and one longer (2.63 Å) Co–Ga bond lengths. In the seventh Co site, Co is bonded in a 1-coordinate geometry to seven La and two equivalent Co atoms. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to eight La and one Co atom. In the second Ga site, Ga is bonded in a 9-coordinate geometry to eight La and one Co atom. In the third Ga site, Ga is bonded in a 9-coordinate geometry to eight La and one Co atom.