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Materials Data on Ce(In2Au)2 by Materials Project

Ce(AuIn2)2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ce is bonded in a 11-coordinate geometry to six Au and ten In atoms. There are a spread of Ce–Au bond distances ranging from 3.46–3.95 Å. There are a spread of Ce–In bond distances ranging from 3.33–3.74 Å. There are two inequivalent Au sites. In the first Au site, Au is bonded in a 9-coordinate geometry to three equivalent Ce and seven In atoms. There are a spread of Au–In bond distances ranging from 2.82–3.05 Å. In the second Au site, Au is bonded in a 7-coordinate geometry to three equivalent Ce and seven In atoms. There are a spread of Au–In bond distances ranging from 2.84–2.91 Å. There are four inequivalent In sites. In the first In site, In is bonded in a 3-coordinate geometry to three equivalent Ce and three equivalent Au atoms. In the second In site, In is bonded in a 4-coordinate geometry to three equivalent Ce and four Au atoms. In the third In site, In is bonded in a 3-coordinate geometry to three equivalent Ce and three equivalent Au atoms. In the fourth In site, In is bonded to one Ce and four Au atoms to form a mixture of distorted edge and corner-sharing InCeAu4 tetrahedra.

36 MATERIALS SCIENCE↗

Materials Data on In2Au by Materials Project

AuIn2 is Fluorite structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Au is bonded in a body-centered cubic geometry to eight equivalent In atoms. All Au–In bond lengths are 2.90 Å. In is bonded to four equivalent Au atoms to form a mixture of edge and corner-sharing InAu4 tetrahedra.

36 MATERIALS SCIENCE↗

Materials Data on Nd(In2Au)2 by Materials Project

Nd(AuIn2)2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Nd is bonded in a 11-coordinate geometry to four Au and ten In atoms. There are two shorter (3.47 Å) and two longer (3.54 Å) Nd–Au bond lengths. There are a spread of Nd–In bond distances ranging from 3.33–3.76 Å. There are two inequivalent Au sites. In the first Au site, Au is bonded in a 7-coordinate geometry to two equivalent Nd and seven In atoms. There are a spread of Au–In bond distances ranging from 2.86–2.90 Å. In the second Au site, Au is bonded in a 9-coordinate geometry to two equivalent Nd and seven In atoms. There are a spread of Au–In bond distances ranging from 2.83–3.04 Å. There are four inequivalent In sites. In the first In site, In is bonded in a 3-coordinate geometry to three equivalent Nd and three equivalent Au atoms. In the second In site, In is bonded to one Nd and four Au atoms to form a mixture of distorted edge and corner-sharing InNdAu4 tetrahedra. In the third In site, In is bonded in a 4-coordinate geometry to three equivalent Nd and four Au atoms. In the fourth In site, In is bonded in a 3-coordinate geometry to three equivalent Nd and three equivalent Au atoms.

36 MATERIALS SCIENCE↗

Materials Data on Pr(In2Au)2 by Materials Project

Pr(AuIn2)2 crystallizes in the monoclinic Pc space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 8-coordinate geometry to four Au and ten In atoms. There are a spread of Pr–Au bond distances ranging from 3.46–3.55 Å. There are a spread of Pr–In bond distances ranging from 3.34–3.76 Å. In the second Pr site, Pr is bonded in a 11-coordinate geometry to four Au and ten In atoms. There are a spread of Pr–Au bond distances ranging from 3.46–3.55 Å. There are a spread of Pr–In bond distances ranging from 3.34–3.76 Å. There are four inequivalent Au sites. In the first Au site, Au is bonded in a 9-coordinate geometry to two equivalent Pr and seven In atoms. There are a spread of Au–In bond distances ranging from 2.83–3.07 Å. In the second Au site, Au is bonded in a 7-coordinate geometry to two equivalent Pr and seven In atoms. There are a spread of Au–In bond distances ranging from 2.85–2.91 Å. In the third Au site, Au is bonded in a 9-coordinate geometry to two equivalent Pr and seven In atoms. There are a spread of Au–In bond distances ranging from 2.82–3.07 Å. In the fourth Au site, Au is bonded in a 7-coordinate geometry to two equivalent Pr and seven In atoms. There are a spread of Au–In bond distances ranging from 2.84–2.91 Å. There are eight inequivalent In sites. In the first In site, In is bonded in a 3-coordinate geometry to three Pr and three Au atoms. In the second In site, In is bonded in a 3-coordinate geometry to three Pr and three Au atoms. In the third In site, In is bonded to one Pr and four Au atoms to form a mixture of distorted edge and corner-sharing InPrAu4 tetrahedra. In the fourth In site, In is bonded in a 4-coordinate geometry to three Pr and four Au atoms. In the fifth In site, In is bonded in a 4-coordinate geometry to three Pr and four Au atoms. In the sixth In site, In is bonded in a 3-coordinate geometry to three Pr and three Au atoms. In the seventh In site, In is bonded to one Pr and four Au atoms to form a mixture of distorted edge and corner-sharing InPrAu4 tetrahedra. In the eighth In site, In is bonded in a 3-coordinate geometry to three Pr and three Au atoms.

36 MATERIALS SCIENCE↗

Materials Data on Eu(In2Au)2 by Materials Project

Eu(AuIn2)2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Eu is bonded in a 11-coordinate geometry to four Au and ten In atoms. There are two shorter (3.46 Å) and two longer (3.53 Å) Eu–Au bond lengths. There are a spread of Eu–In bond distances ranging from 3.35–3.76 Å. There are two inequivalent Au sites. In the first Au site, Au is bonded in a 7-coordinate geometry to two equivalent Eu and seven In atoms. There are a spread of Au–In bond distances ranging from 2.85–2.89 Å. In the second Au site, Au is bonded in a 9-coordinate geometry to two equivalent Eu and seven In atoms. There are a spread of Au–In bond distances ranging from 2.83–3.05 Å. There are four inequivalent In sites. In the first In site, In is bonded to one Eu and four Au atoms to form a mixture of distorted corner and edge-sharing InEuAu4 tetrahedra. In the second In site, In is bonded in a 3-coordinate geometry to three equivalent Eu and three equivalent Au atoms. In the third In site, In is bonded in a 3-coordinate geometry to three equivalent Eu and three equivalent Au atoms. In the fourth In site, In is bonded in a 4-coordinate geometry to three equivalent Eu and four Au atoms.

36 MATERIALS SCIENCE↗

Materials Data on Yb(In2Au)2 by Materials Project

Yb(AuIn2)2 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Yb is bonded in a 2-coordinate geometry to four Au and ten In atoms. There are two shorter (3.34 Å) and two longer (3.40 Å) Yb–Au bond lengths. There are a spread of Yb–In bond distances ranging from 3.35–3.64 Å. There are two inequivalent Au sites. In the first Au site, Au is bonded in a 9-coordinate geometry to two equivalent Yb and seven In atoms. There are a spread of Au–In bond distances ranging from 2.85–2.92 Å. In the second Au site, Au is bonded in a 9-coordinate geometry to two equivalent Yb and seven In atoms. There are a spread of Au–In bond distances ranging from 2.82–3.02 Å. There are four inequivalent In sites. In the first In site, In is bonded in a 3-coordinate geometry to three equivalent Yb and three equivalent Au atoms. In the second In site, In is bonded in a 3-coordinate geometry to three equivalent Yb and three equivalent Au atoms. In the third In site, In is bonded to one Yb and four Au atoms to form a mixture of distorted edge and corner-sharing InYbAu4 tetrahedra. In the fourth In site, In is bonded in a 4-coordinate geometry to three equivalent Yb and four Au atoms.

36 MATERIALS SCIENCE↗