DOI: 10.17188/1690809
title: Materials Data on Y10Ga3Co7 by Materials Project

description: Y10Co7Ga3 crystallizes in the orthorhombic Pmc2_1 space group. The structure is three-dimensional. there are ten inequivalent Y sites. In the first Y site, Y is bonded in a 8-coordinate geometry to six Co and two equivalent Ga atoms. There are a spread of Y–Co bond distances ranging from 2.88–3.15 Å. Both Y–Ga bond lengths are 3.07 Å. In the second Y site, Y is bonded in a 8-coordinate geometry to seven Co and one Ga atom. There are a spread of Y–Co bond distances ranging from 2.88–3.03 Å. The Y–Ga bond length is 3.18 Å. In the third Y site, Y is bonded in a 2-coordinate geometry to three Co and four Ga atoms. There are two shorter (2.81 Å) and one longer (3.43 Å) Y–Co bond lengths. There are two shorter (3.08 Å) and two longer (3.12 Å) Y–Ga bond lengths. In the fourth Y site, Y is bonded in a 7-coordinate geometry to four Co and three Ga atoms. There are two shorter (2.81 Å) and two longer (2.96 Å) Y–Co bond lengths. There are two shorter (3.14 Å) and one longer (3.31 Å) Y–Ga bond lengths. In the fifth Y site, Y is bonded in a 8-coordinate geometry to five Co and three Ga atoms. There are a spread of Y–Co bond distances ranging from 2.87–2.95 Å. There are two shorter (3.11 Å) and one longer (3.25 Å) Y–Ga bond lengths. In the sixth Y site, Y is bonded in a 8-coordinate geometry to five Co and three Ga atoms. There are one shorter (2.87 Å) and four longer (2.90 Å) Y–Co bond lengths. There are two shorter (3.10 Å) and one longer (3.23 Å) Y–Ga bond lengths. In the seventh Y site, Y is bonded in a 6-coordinate geometry to four Co and two equivalent Ga atoms. There are a spread of Y–Co bond distances ranging from 2.84–3.01 Å. Both Y–Ga bond lengths are 3.10 Å. In the eighth Y site, Y is bonded in a 6-coordinate geometry to four Co and two equivalent Ga atoms. There are a spread of Y–Co bond distances ranging from 2.84–3.06 Å. Both Y–Ga bond lengths are 3.11 Å. In the ninth Y site, Y is bonded in a 6-coordinate geometry to three Co and three Ga atoms. There are one shorter (2.75 Å) and two longer (2.97 Å) Y–Co bond lengths. There are two shorter (3.04 Å) and one longer (3.17 Å) Y–Ga bond lengths. In the tenth Y site, Y is bonded in a 6-coordinate geometry to five Co and one Ga atom. There are a spread of Y–Co bond distances ranging from 2.87–3.14 Å. The Y–Ga bond length is 3.27 Å. There are seven inequivalent Co sites. In the first Co site, Co is bonded in a 9-coordinate geometry to seven Y and two equivalent Co atoms. Both Co–Co bond lengths are 2.26 Å. In the second Co site, Co is bonded in a 9-coordinate geometry to six Y, two Co, and one Ga atom. There are one shorter (2.33 Å) and one longer (2.35 Å) Co–Co bond lengths. The Co–Ga bond length is 2.57 Å. In the third Co site, Co is bonded in a 9-coordinate geometry to six Y, one Co, and two Ga atoms. The Co–Co bond length is 2.37 Å. There are one shorter (2.53 Å) and one longer (2.56 Å) Co–Ga bond lengths. In the fourth Co site, Co is bonded in a 9-coordinate geometry to eight Y and one Co atom. In the fifth Co site, Co is bonded in a 9-coordinate geometry to six Y and three Co atoms. In the sixth Co site, Co is bonded in a 9-coordinate geometry to six Y and three Co atoms. Both Co–Co bond lengths are 2.22 Å. In the seventh Co site, Co is bonded in a 9-coordinate geometry to seven Y 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 Y and one Co atom. In the second Ga site, Ga is bonded in a 9-coordinate geometry to eight Y and one Co atom. In the third Ga site, Ga is bonded in a 9-coordinate geometry to eight Y and one Co atom.