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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on ErCuPb by Materials Project

ErCuPb crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to three equivalent Cu and six equivalent Pb atoms. All Er–Cu bond lengths are 2.93 Å. There are three shorter (3.15 Å) and three longer (3.30 Å) Er–Pb bond lengths. Cu is bonded in a 7-coordinate geometry to three equivalent Er and four equivalent Pb atoms. There are three shorter (2.75 Å) and one longer (2.93 Å) Cu–Pb bond lengths. Pb is bonded in a 10-coordinate geometry to six equivalent Er and four equivalent Cu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Er5CuPb3 by Materials Project

Er5CuPb3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded to two equivalent Cu and five equivalent Pb atoms to form a mixture of distorted edge, corner, and face-sharing ErCu2Pb5 pentagonal bipyramids. Both Er–Cu bond lengths are 2.84 Å. There are a spread of Er–Pb bond distances ranging from 3.14–3.56 Å. In the second Er site, Er is bonded in a 6-coordinate geometry to six equivalent Pb atoms. All Er–Pb bond lengths are 3.26 Å. Cu is bonded to six equivalent Er atoms to form face-sharing CuEr6 octahedra. Pb is bonded in a 9-coordinate geometry to nine Er atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErCuPb by Materials Project

ErCuPb is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Er is bonded to six equivalent Cu and six equivalent Pb atoms to form a mixture of edge and face-sharing ErCu6Pb6 cuboctahedra. All Er–Cu bond lengths are 3.22 Å. All Er–Pb bond lengths are 3.22 Å. Cu is bonded in a 3-coordinate geometry to six equivalent Er and three equivalent Pb atoms. All Cu–Pb bond lengths are 2.67 Å. Pb is bonded in a 3-coordinate geometry to six equivalent Er and three equivalent Cu atoms.

36 MATERIALS SCIENCE↗