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Materials Data on Y3(Ge3Pt2)2 by Materials Project

Y3Pt4Ge6 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are three inequivalent Y sites. In the first Y site, Y is bonded in a 12-coordinate geometry to six Pt and eight Ge atoms. There are a spread of Y–Pt bond distances ranging from 3.19–3.31 Å. There are a spread of Y–Ge bond distances ranging from 3.04–3.11 Å. In the second Y site, Y is bonded in a 12-coordinate geometry to six Pt and nine Ge atoms. There are a spread of Y–Pt bond distances ranging from 3.26–3.36 Å. There are a spread of Y–Ge bond distances ranging from 3.25–3.42 Å. In the third Y site, Y is bonded in a 8-coordinate geometry to six Pt and nine Ge atoms. There are a spread of Y–Pt bond distances ranging from 3.29–3.39 Å. There are a spread of Y–Ge bond distances ranging from 3.23–3.43 Å. There are four inequivalent Pt sites. In the first Pt site, Pt is bonded in a 5-coordinate geometry to four Y and five Ge atoms. There are one shorter (2.42 Å) and four longer (2.54 Å) Pt–Ge bond lengths. In the second Pt site, Pt is bonded in a 10-coordinate geometry to five Y and five Ge atoms. There are a spread of Pt–Ge bond distances ranging from 2.48–2.68 Å. In the third Pt site, Pt is bonded in a 9-coordinate geometry to four Y and five Ge atoms. There are a spread of Pt–Ge bond distances ranging from 2.47–2.53 Å. In the fourth Pt site, Pt is bonded in a 10-coordinate geometry to five Y and five Ge atoms. There are a spread of Pt–Ge bond distances ranging from 2.48–2.68 Å. There are six inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to four Y, three equivalent Pt, and one Ge atom. The Ge–Ge bond length is 2.59 Å. In the second Ge site, Ge is bonded in a 4-coordinate geometry to four Y and four Pt atoms. In the third Ge site, Ge is bonded in a 8-coordinate geometry to four Y, three equivalent Pt, and one Ge atom. In the fourth Ge site, Ge is bonded in a distorted trigonal planar geometry to four Y and three Pt atoms. In the fifth Ge site, Ge is bonded in a 9-coordinate geometry to six Y and three Pt atoms. In the sixth Ge site, Ge is bonded in a 4-coordinate geometry to four Y and four Pt atoms.

36 MATERIALS SCIENCE↗

Materials Data on YGePt by Materials Project

YPtGe crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Y is bonded in a 12-coordinate geometry to six equivalent Pt and six equivalent Ge atoms. There are a spread of Y–Pt bond distances ranging from 3.03–3.28 Å. There are a spread of Y–Ge bond distances ranging from 3.03–3.27 Å. Pt is bonded in a 10-coordinate geometry to six equivalent Y and four equivalent Ge atoms. There are a spread of Pt–Ge bond distances ranging from 2.58–2.78 Å. Ge is bonded in a 10-coordinate geometry to six equivalent Y and four equivalent Pt atoms.

36 MATERIALS SCIENCE↗

Materials Data on Y3Ge13Pt4 by Materials Project

Y3Pt4Ge13 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. there are three inequivalent Y sites. In the first Y site, Y is bonded in a 12-coordinate geometry to four Pt and twelve Ge atoms. There are one shorter (3.16 Å) and three longer (3.22 Å) Y–Pt bond lengths. There are a spread of Y–Ge bond distances ranging from 3.06–3.52 Å. In the second Y site, Y is bonded in a 8-coordinate geometry to four Pt and twelve Ge atoms. There are a spread of Y–Pt bond distances ranging from 3.21–3.29 Å. There are a spread of Y–Ge bond distances ranging from 3.05–3.55 Å. In the third Y site, Y is bonded in a 7-coordinate geometry to four Pt and twelve Ge atoms. There are a spread of Y–Pt bond distances ranging from 3.21–3.25 Å. There are a spread of Y–Ge bond distances ranging from 3.01–3.59 Å. There are four inequivalent Pt sites. In the first Pt site, Pt is bonded in a 9-coordinate geometry to three Y and six Ge atoms. There are a spread of Pt–Ge bond distances ranging from 2.56–2.60 Å. In the second Pt site, Pt is bonded in a 9-coordinate geometry to three Y and six Ge atoms. There are a spread of Pt–Ge bond distances ranging from 2.54–2.62 Å. In the third Pt site, Pt is bonded in a 9-coordinate geometry to three Y and six Ge atoms. There are a spread of Pt–Ge bond distances ranging from 2.53–2.61 Å. In the fourth Pt site, Pt is bonded in a 9-coordinate geometry to three Y and six Ge atoms. There are a spread of Pt–Ge bond distances ranging from 2.55–2.63 Å. There are thirteen inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to three Y, two Pt, and three Ge atoms. There are a spread of Ge–Ge bond distances ranging from 2.77–2.86 Å. In the second Ge site, Ge is bonded in a 2-coordinate geometry to three Y, two equivalent Pt, and two Ge atoms. There are one shorter (2.55 Å) and one longer (2.68 Å) Ge–Ge bond lengths. In the third Ge site, Ge is bonded in a 2-coordinate geometry to three Y, two Pt, and three Ge atoms. There are one shorter (2.68 Å) and one longer (2.80 Å) Ge–Ge bond lengths. In the fourth Ge site, Ge is bonded in a 5-coordinate geometry to five Ge atoms. There are a spread of Ge–Ge bond distances ranging from 2.56–2.77 Å. In the fifth Ge site, Ge is bonded in a 2-coordinate geometry to three Y, two equivalent Pt, and two Ge atoms. There are one shorter (2.74 Å) and one longer (2.76 Å) Ge–Ge bond lengths. In the sixth Ge site, Ge is bonded in a 7-coordinate geometry to three Y, two Pt, and two Ge atoms. In the seventh Ge site, Ge is bonded in a 4-coordinate geometry to three Y, two Pt, and three Ge atoms. In the eighth Ge site, Ge is bonded in a 2-coordinate geometry to three Y, two Pt, and two Ge atoms. The Ge–Ge bond length is 2.71 Å. In the ninth Ge site, Ge is bonded in a 2-coordinate geometry to three Y, two Pt, 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 Pt, and two Ge atoms. In the eleventh Ge site, Ge is bonded in a 2-coordinate geometry to three Y, two Pt, and two Ge atoms. The Ge–Ge bond length is 2.68 Å. In the twelfth Ge site, Ge is bonded in a 2-coordinate geometry to three Y, two Pt, and two Ge atoms. In the thirteenth Ge site, Ge is bonded in a 2-coordinate geometry to three Y, two Pt, and two Ge atoms.

36 MATERIALS SCIENCE↗