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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on YbNiSn by Materials Project

YbNiSn crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Yb is bonded in a 11-coordinate geometry to five equivalent Ni and six equivalent Sn atoms. There are a spread of Yb–Ni bond distances ranging from 2.93–3.24 Å. There are a spread of Yb–Sn bond distances ranging from 3.16–3.24 Å. Ni is bonded in a 9-coordinate geometry to five equivalent Yb and four equivalent Sn atoms. There are a spread of Ni–Sn bond distances ranging from 2.60–2.69 Å. Sn is bonded in a 10-coordinate geometry to six equivalent Yb and four equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YbNi2Sn by Materials Project

YbNi2Sn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Yb is bonded in a distorted body-centered cubic geometry to eight equivalent Ni and six equivalent Sn atoms. All Yb–Ni bond lengths are 2.76 Å. All Yb–Sn bond lengths are 3.19 Å. Ni is bonded in a distorted body-centered cubic geometry to four equivalent Yb and four equivalent Sn atoms. All Ni–Sn bond lengths are 2.76 Å. Sn is bonded in a 8-coordinate geometry to six equivalent Yb and eight equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Yb7Ni4Sn13 by Materials Project

Yb7Ni4Sn13 crystallizes in the tetragonal P4/m space group. The structure is three-dimensional. there are three inequivalent Yb sites. In the first Yb site, Yb is bonded in a 8-coordinate geometry to four equivalent Ni and twelve Sn atoms. All Yb–Ni bond lengths are 3.38 Å. There are eight shorter (3.25 Å) and four longer (3.42 Å) Yb–Sn bond lengths. In the second Yb site, Yb is bonded in a 11-coordinate geometry to two equivalent Ni and nine Sn atoms. Both Yb–Ni bond lengths are 3.40 Å. There are a spread of Yb–Sn bond distances ranging from 3.17–3.49 Å. In the third Yb site, Yb is bonded in a 4-coordinate geometry to four equivalent Ni and ten Sn atoms. All Yb–Ni bond lengths are 3.66 Å. There are a spread of Yb–Sn bond distances ranging from 3.34–3.58 Å. Ni is bonded in a 10-coordinate geometry to five Yb and five Sn atoms. There are a spread of Ni–Sn bond distances ranging from 2.53–2.61 Å. There are four inequivalent Sn sites. In the first Sn site, Sn is bonded in a 12-coordinate geometry to five Yb, two equivalent Ni, and one Sn atom. The Sn–Sn bond length is 2.88 Å. In the second Sn site, Sn is bonded in a 12-coordinate geometry to four Yb and two equivalent Ni atoms. In the third Sn site, Sn is bonded in a 9-coordinate geometry to six Yb, one Ni, and two Sn atoms. The Sn–Sn bond length is 3.20 Å. In the fourth Sn site, Sn is bonded to eight equivalent Yb and four equivalent Sn atoms to form face-sharing SnYb8Sn4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Yb5(Ni2Sn5)2 by Materials Project

Yb5Ni4Sn10 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are three inequivalent Yb sites. In the first Yb site, Yb is bonded in a 12-coordinate geometry to four equivalent Ni and twelve Sn atoms. All Yb–Ni bond lengths are 3.46 Å. There are eight shorter (3.21 Å) and four longer (3.46 Å) Yb–Sn bond lengths. In the second Yb site, Yb is bonded to four equivalent Ni and eight Sn atoms to form distorted face-sharing YbNi4Sn8 cuboctahedra. All Yb–Ni bond lengths are 3.21 Å. There are a spread of Yb–Sn bond distances ranging from 3.10–3.29 Å. In the third Yb site, Yb is bonded in a 8-coordinate geometry to four equivalent Ni and ten Sn atoms. All Yb–Ni bond lengths are 3.61 Å. There are a spread of Yb–Sn bond distances ranging from 3.39–3.58 Å. Ni is bonded in a 10-coordinate geometry to five Yb and five Sn atoms. There are a spread of Ni–Sn bond distances ranging from 2.55–2.67 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 9-coordinate geometry to six Yb, two equivalent Ni, and one Sn atom. The Sn–Sn bond length is 2.80 Å. In the second Sn site, Sn is bonded in a 10-coordinate geometry to five Yb, two equivalent Ni, and three Sn atoms. There are one shorter (3.00 Å) and two longer (3.19 Å) Sn–Sn bond lengths. In the third Sn site, Sn is bonded in a 12-coordinate geometry to four Yb, two equivalent Ni, and two equivalent Sn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YbNi4Sn by Materials Project

YbNi4Sn crystallizes in the cubic F-43m space group. The structure is three-dimensional. Yb is bonded in a 12-coordinate geometry to twelve equivalent Ni and four equivalent Sn atoms. All Yb–Ni bond lengths are 2.88 Å. All Yb–Sn bond lengths are 3.01 Å. Ni is bonded to three equivalent Yb, six equivalent Ni, and three equivalent Sn atoms to form a mixture of edge, face, and corner-sharing NiYb3Ni6Sn3 cuboctahedra. There are three shorter (2.45 Å) and three longer (2.47 Å) Ni–Ni bond lengths. All Ni–Sn bond lengths are 2.88 Å. Sn is bonded in a 4-coordinate geometry to four equivalent Yb and twelve equivalent Ni atoms.

36 MATERIALS SCIENCE↗