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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on YNiSn2 by Materials Project

YNiSn2 is delta Molybdenum Boride-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Y sites. In the first Y site, Y is bonded in a 8-coordinate geometry to six Ni and eight Sn atoms. There are a spread of Y–Ni bond distances ranging from 3.27–3.46 Å. There are a spread of Y–Sn bond distances ranging from 3.12–3.20 Å. In the second Y site, Y is bonded in a 11-coordinate geometry to two equivalent Ni and nine Sn atoms. Both Y–Ni bond lengths are 3.11 Å. There are a spread of Y–Sn bond distances ranging from 3.16–3.52 Å. In the third Y site, Y is bonded in a 1-coordinate geometry to four Ni and nine Sn atoms. There are two shorter (3.17 Å) and two longer (3.28 Å) Y–Ni bond lengths. There are a spread of Y–Sn bond distances ranging from 3.17–3.58 Å. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded in a 10-coordinate geometry to five Y and five Sn atoms. There are a spread of Ni–Sn bond distances ranging from 2.53–2.75 Å. In the second Ni site, Ni is bonded in a 7-coordinate geometry to three Y and five Sn atoms. There are a spread of Ni–Sn bond distances ranging from 2.50–2.77 Å. In the third Ni site, Ni is bonded in a 10-coordinate geometry to four Y and five Sn atoms. There are a spread of Ni–Sn bond distances ranging from 2.53–2.66 Å. There are six inequivalent Sn sites. In the first Sn site, Sn is bonded in a 8-coordinate geometry to four Y, three equivalent Ni, and one Sn atom. The Sn–Sn bond length is 3.01 Å. In the second Sn site, Sn is bonded in a 9-coordinate geometry to six Y and three Ni atoms. In the third Sn site, Sn is bonded in a 6-coordinate geometry to four Y and two Ni atoms. In the fourth Sn site, Sn is bonded in a 6-coordinate geometry to four Y and three Ni atoms. In the fifth Sn site, Sn is bonded in a 8-coordinate geometry to four Y, three Ni, and one Sn atom. In the sixth Sn site, Sn is bonded in a 2-coordinate geometry to four Y and one Ni atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YNiSn by Materials Project

YNiSn crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Y is bonded in a 12-coordinate geometry to six equivalent Ni and six equivalent Sn atoms. There are a spread of Y–Ni bond distances ranging from 3.03–3.31 Å. There are a spread of Y–Sn bond distances ranging from 3.12–3.22 Å. Ni is bonded in a 10-coordinate geometry to six equivalent Y and four equivalent Sn atoms. There are a spread of Ni–Sn bond distances ranging from 2.60–2.80 Å. Sn is bonded in a 10-coordinate geometry to six equivalent Y and four equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Y2Ni2Sn by Materials Project

Y2Ni2Sn crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Y is bonded in a 10-coordinate geometry to six equivalent Ni and four equivalent Sn atoms. There are two shorter (2.94 Å) and four longer (2.98 Å) Y–Ni bond lengths. There are two shorter (3.26 Å) and two longer (3.29 Å) Y–Sn bond lengths. Ni is bonded in a 9-coordinate geometry to six equivalent Y, one Ni, and two equivalent Sn atoms. The Ni–Ni bond length is 2.41 Å. Both Ni–Sn bond lengths are 2.68 Å. Sn is bonded to eight equivalent Y and four equivalent Ni atoms to form a mixture of edge and face-sharing SnY8Ni4 cuboctahedra.

36 MATERIALS SCIENCE↗