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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Er6Ni2Sn by Materials Project

Er6Ni2Sn crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are three inequivalent Er sites. In the first Er site, Er is bonded in a 4-coordinate geometry to three Ni and one Sn atom. There are one shorter (2.69 Å) and two longer (2.87 Å) Er–Ni bond lengths. The Er–Sn bond length is 3.35 Å. In the second Er site, Er is bonded in a 4-coordinate geometry to two Ni and two Sn atoms. There are one shorter (2.73 Å) and one longer (3.18 Å) Er–Ni bond lengths. There are one shorter (3.06 Å) and one longer (3.33 Å) Er–Sn bond lengths. In the third Er site, Er is bonded in a 5-coordinate geometry to three Ni and two Sn atoms. There are two shorter (2.88 Å) and one longer (3.13 Å) Er–Ni bond lengths. There are one shorter (3.21 Å) and one longer (3.60 Å) Er–Sn bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to eight Er and one Ni atom. The Ni–Ni bond length is 2.49 Å. In the second Ni site, Ni is bonded in a 2-coordinate geometry to eight Er atoms. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a cuboctahedral geometry to twelve Er atoms. In the second Sn site, Sn is bonded in a body-centered cubic geometry to eight Er atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErNiSn by Materials Project

ErNiSn crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to six equivalent Ni and six equivalent Sn atoms. There are a spread of Er–Ni bond distances ranging from 3.04–3.29 Å. There are a spread of Er–Sn bond distances ranging from 3.10–3.23 Å. Ni is bonded in a 10-coordinate geometry to six equivalent Er and four equivalent Sn atoms. There are a spread of Ni–Sn bond distances ranging from 2.59–2.79 Å. Sn is bonded in a 10-coordinate geometry to six equivalent Er and four equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErNiSn4 by Materials Project

ErNiSn4 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Er is bonded in a 10-coordinate geometry to ten Sn atoms. There are a spread of Er–Sn bond distances ranging from 3.20–3.46 Å. Ni is bonded in a distorted body-centered cubic geometry to eight Sn atoms. There are a spread of Ni–Sn bond distances ranging from 2.65–2.76 Å. There are five inequivalent Sn sites. In the first Sn site, Sn is bonded in a 4-coordinate geometry to two equivalent Er, two equivalent Ni, and five Sn atoms. There are one shorter (3.07 Å) and four longer (3.15 Å) Sn–Sn bond lengths. In the second Sn site, Sn is bonded in a 8-coordinate geometry to six equivalent Er and two equivalent Sn atoms. Both Sn–Sn bond lengths are 3.02 Å. In the third Sn site, Sn is bonded in a 4-coordinate geometry to two equivalent Er, two equivalent Ni, and five Sn atoms. The Sn–Sn bond length is 3.09 Å. In the fourth Sn site, Sn is bonded in a 4-coordinate geometry to four equivalent Ni and two equivalent Sn atoms. In the fifth Sn site, Sn is bonded in a 4-coordinate geometry to four equivalent Ni and two equivalent Sn atoms.

36 MATERIALS SCIENCE↗