Materials Data on Y3Ge13Ru4 by Materials Project

Abstract

Y3Ru4Ge13 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are six inequivalent Y sites. In the first Y site, Y is bonded in a 12-coordinate geometry to four Ru and twelve Ge atoms. There are two shorter (3.18 Å) and two longer (3.19 Å) Y–Ru bond lengths. There are a spread of Y–Ge bond distances ranging from 3.14–3.19 Å. In the second Y site, Y is bonded in a 12-coordinate geometry to four Ru and twelve Ge atoms. There are two shorter (3.18 Å) and two longer (3.19 Å) Y–Ru bond lengths. There are a spread of Y–Ge bond distances ranging from 3.15–3.19 Å. In the third Y site, Y is bonded in a 12-coordinate geometry to four Ru and twelve Ge atoms. There are two shorter (3.18 Å) and two longer (3.19 Å) Y–Ru bond lengths. There are a spread of Y–Ge bond distances ranging from 3.16–3.19 Å. In the fourth Y site, Y is bonded in a 12-coordinate geometry to four Ru and twelve Ge atoms. There are two shorter (3.18 Å) and two longer (3.19 Å) Y–Ru bond lengths. There are a spread of Y–Ge bond distances ranging from 3.15–3.19 Å. In the fifth Y site, Y is bonded in a 12-coordinate geometry to four Ru and twelve Ge atoms. There are two shorter (3.18 Å) and two longer (3.19 Å) Y–Ru bond lengths. There are a spread of Y–Ge bond distances ranging from 3.15–3.19 Å. In the sixth Y site, Y is bonded in a 12-coordinate geometry to four Ru and twelve Ge atoms. There are two shorter (3.18 Å) and two longer (3.19 Å) Y–Ru bond lengths. There are a spread of Y–Ge bond distances ranging from 3.15–3.19 Å. There are eight inequivalent Ru sites. In the first Ru site, Ru is bonded in a 6-coordinate geometry to three Y and six Ge atoms. There are five shorter (2.47 Å) and one longer (2.48 Å) Ru–Ge bond lengths. In the second Ru site, Ru is bonded in a 6-coordinate geometry to three Y and six Ge atoms. There are four shorter (2.47 Å) and two longer (2.48 Å) Ru–Ge bond lengths. In the third Ru site, Ru is bonded in a 6-coordinate geometry to three Y and six Ge atoms. There are two shorter (2.47 Å) and four longer (2.48 Å) Ru–Ge bond lengths. In the fourth Ru site, Ru is bonded in a 6-coordinate geometry to three Y and six Ge atoms. There are four shorter (2.47 Å) and two longer (2.48 Å) Ru–Ge bond lengths. In the fifth Ru site, Ru is bonded in a 6-coordinate geometry to three Y and six Ge atoms. There are three shorter (2.47 Å) and three longer (2.48 Å) Ru–Ge bond lengths. In the sixth Ru site, Ru is bonded in a 6-coordinate geometry to three Y and six Ge atoms. All Ru–Ge bond lengths are 2.47 Å. In the seventh Ru site, Ru is bonded in a 6-coordinate geometry to three Y and six Ge atoms. There are four shorter (2.47 Å) and two longer (2.48 Å) Ru–Ge bond lengths. In the eighth Ru site, Ru is bonded in a 6-coordinate geometry to three Y and six Ge atoms. All Ru–Ge bond lengths are 2.47 Å. There are twenty-six inequivalent Ge sites. In the first Ge site, Ge is bonded in a 6-coordinate geometry to three Y, two Ru, and two Ge atoms. There are one shorter (2.72 Å) and one longer (3.09 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 2-coordinate geometry to three Y, two Ru, and two Ge atoms. There are one shorter (2.71 Å) and one longer (3.08 Å) Ge–Ge bond lengths. In the third Ge site, Ge is bonded in a 2-coordinate geometry to three Y, two Ru, and two Ge atoms. There are one shorter (2.72 Å) and one longer (3.07 Å) Ge–Ge bond lengths. In the fourth Ge site, Ge is bonded in a cuboctahedral geometry to twelve Ge atoms. There are a spread of Ge–Ge bond distances ranging from 3.06–3.09 Å. In the fifth Ge site, Ge is bonded in a 2-coordinate geometry to three Y, two Ru, and two Ge atoms. The Ge–Ge bond length is 2.72 Å. In the sixth Ge site, Ge is bonded in a 2-coordinate geometry to three Y, two Ru, and one Ge atom. In the seventh Ge site, Ge is bonded in a 2-coordinate geometry to three Y, two Ru, and one Ge atom. The Ge–Ge bond length is 3.05 Å. In the eighth Ge site, Ge is bonded in a 2-coordinate geometry to three Y, two Ru, and two Ge atoms. There are one shorter (2.72 Å) and one longer (3.07 Å) Ge–Ge bond lengths. In the ninth Ge site, Ge is bonded in a 2-coordinate geometry to three Y, two Ru, and two Ge atoms. The Ge–Ge bond length is 2.72 Å. In the tenth Ge site, Ge is bonded in a 2-coordinate geometry to three Y, two Ru, and one Ge atom. In the eleventh Ge site, Ge is bonded in a 2-coordinate geometry to three Y, two Ru, and two Ge atoms. In the twelfth Ge site, Ge is bonded in a 6-coordinate geometry to three Y, two Ru, and two Ge atoms. The Ge–Ge bond length is 3.08 Å. In the thirteenth Ge site, Ge is bonded in a 2-coordinate geometry to three Y, two Ru, and two Ge atoms. The Ge–Ge bond length is 3.08 Å. In the fourteenth Ge site, Ge is bonded in a 6-coordinate geometry to three Y, two Ru, and two Ge atoms. The Ge–Ge bond length is 3.09 Å. In the fifteenth Ge site, Ge is bonded in a 2-coordinate geometry to three Y, two Ru, and two Ge atoms. The Ge–Ge bond length is 2.72 Å. In the sixteenth Ge site, Ge is bonded in a 2-coordinate geometry to three Y, two Ru, and one Ge atom. The Ge–Ge bond length is 3.06 Å. In the seventeenth Ge site, Ge is bonded in a 2-coordinate geometry to three Y, two Ru, and two Ge atoms. There are one shorter (2.72 Å) and one longer (3.07 Å) Ge–Ge bond lengths. In the eighteenth Ge site, Ge is bonded in a 2-coordinate geometry to three Y, two Ru, and one Ge atom. The Ge–Ge bond length is 3.07 Å. In the nineteenth Ge site, Ge is bonded in a 6-coordinate geometry to three Y, two Ru, and two Ge atoms. In the twentieth Ge site, Ge is bonded in a 2-coordinate geometry to three Y, two Ru, and one Ge atom. In the twenty-first Ge site, Ge is bonded in a 2-coordinate geometry to three Y, two Ru, and two Ge atoms. In the twenty-second Ge site, Ge is bonded in a cuboctahedral geometry to twelve Ge atoms. There are one shorter (3.08 Å) and one longer (3.09 Å) Ge–Ge bond lengths. In the twenty-third Ge site, Ge is bonded in a 2-coordinate geometry to three Y, two Ru, and two Ge atoms. In the twenty-fourth Ge site, Ge is bonded in a 2-coordinate geometry to three Y, two Ru, and two Ge atoms. In the twenty-fifth Ge site, Ge is bonded in a 2-coordinate geometry to three Y, two Ru, and one Ge atom. In the twenty-sixth Ge site, Ge is bonded in a 2-coordinate geometry to three Y, two Ru, and one Ge atom.