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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on ErInPt by Materials Project

ErPtIn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Er is bonded in a 11-coordinate geometry to five Pt and six equivalent In atoms. There are four shorter (3.02 Å) and one longer (3.10 Å) Er–Pt bond lengths. There are two shorter (3.19 Å) and four longer (3.33 Å) Er–In bond lengths. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 9-coordinate geometry to three equivalent Er and six equivalent In atoms. All Pt–In bond lengths are 2.78 Å. In the second Pt site, Pt is bonded in a 9-coordinate geometry to six equivalent Er and three equivalent In atoms. All Pt–In bond lengths are 2.87 Å. In is bonded in a 10-coordinate geometry to six equivalent Er and four Pt atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErInPt2 by Materials Project

ErPt2In is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Er3+ is bonded in a body-centered cubic geometry to eight equivalent Pt2- atoms. All Er–Pt bond lengths are 2.93 Å. Pt2- is bonded in a body-centered cubic geometry to four equivalent Er3+ and four equivalent In1+ atoms. All Pt–In bond lengths are 2.93 Å. In1+ is bonded in a body-centered cubic geometry to eight equivalent Pt2- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErInPt4 by Materials Project

ErPt4In is Cubic Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Er3+ is bonded in a 12-coordinate geometry to twelve equivalent Pt1- atoms. All Er–Pt bond lengths are 3.17 Å. Pt1- is bonded to three equivalent Er3+, six equivalent Pt1-, and three equivalent In1+ atoms to form a mixture of corner, edge, and face-sharing PtEr3In3Pt6 cuboctahedra. There are three shorter (2.69 Å) and three longer (2.71 Å) Pt–Pt bond lengths. All Pt–In bond lengths are 3.16 Å. In1+ is bonded in a 12-coordinate geometry to twelve equivalent Pt1- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Er5(In2Pt)2 by Materials Project

Er5(PtIn2)2 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are three inequivalent Er sites. In the first Er site, Er is bonded in a 8-coordinate geometry to two equivalent Pt and six In atoms. Both Er–Pt bond lengths are 2.81 Å. There are a spread of Er–In bond distances ranging from 3.22–3.39 Å. In the second Er site, Er is bonded in a 10-coordinate geometry to four equivalent Pt and six In atoms. There are two shorter (2.94 Å) and two longer (2.95 Å) Er–Pt bond lengths. There are a spread of Er–In bond distances ranging from 3.32–3.42 Å. In the third Er site, Er is bonded in a distorted body-centered cubic geometry to eight In atoms. There are four shorter (3.22 Å) and four longer (3.32 Å) Er–In bond lengths. Pt is bonded in a 9-coordinate geometry to six Er and three In atoms. There are a spread of Pt–In bond distances ranging from 2.91–3.37 Å. There are two inequivalent In sites. In the first In site, In is bonded in a 1-coordinate geometry to eight Er, two equivalent Pt, and one In atom. The In–In bond length is 3.36 Å. In the second In site, In is bonded in a 9-coordinate geometry to eight Er, one Pt, and one In atom.

36 MATERIALS SCIENCE↗