Materials Data on Y5Sc5Si6 by Materials Project

Y5Sc5Si6 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are three inequivalent Y sites. In the first Y site, Y is bonded in a 5-coordinate geometry to five Si atoms. There are a spread of Y–Si bond distances ranging from 2.87–3.26 Å. In the second Y site, Y is bonded in a 5-coordinate geometry to five Si atoms. There are a spread of Y–Si bond distances ranging from 2.87–3.27 Å. In the third Y site, Y is bonded in a 5-coordinate geometry to five Si atoms. There are a spread of Y–Si bond distances ranging from 2.86–3.25 Å. There are two inequivalent Sc sites. In the first Sc site, Sc is bonded in a 6-coordinate geometry to six Si atoms. There are a spread of Sc–Si bond distances ranging from 2.91–3.00 Å. In the second Sc site, Sc is bonded in a 3-coordinate geometry to five Si atoms. There are a spread of Sc–Si bond distances ranging from 2.80–3.25 Å. There are four inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to four Y and five Sc atoms. In the second Si site, Si is bonded in a 9-coordinate geometry to four Y and five Sc atoms. In the third Si site, Si is bonded in a 9-coordinate geometry to three Y and six Sc atoms. In the fourth Si site, Si is bonded in a 9-coordinate geometry to five Y and four equivalent Sc atoms.