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DOE OSTI2020

Materials Data on TbCuPb by Materials Project

TbCuPb crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Tb is bonded in a 12-coordinate geometry to six equivalent Cu and six equivalent Pb atoms. There are three shorter (2.97 Å) and three longer (3.60 Å) Tb–Cu bond lengths. There are three shorter (3.17 Å) and three longer (3.34 Å) Tb–Pb bond lengths. Cu is bonded in a 10-coordinate geometry to six equivalent Tb and four equivalent Pb atoms. There are three shorter (2.76 Å) and one longer (3.01 Å) Cu–Pb bond lengths. Pb is bonded in a 10-coordinate geometry to six equivalent Tb and four equivalent Cu atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Tb5CuPb3 by Materials Project

Tb5CuPb3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded to two equivalent Cu and five equivalent Pb atoms to form a mixture of distorted corner, edge, and face-sharing TbCu2Pb5 pentagonal bipyramids. Both Tb–Cu bond lengths are 2.88 Å. There are a spread of Tb–Pb bond distances ranging from 3.17–3.57 Å. In the second Tb site, Tb is bonded in a 6-coordinate geometry to six equivalent Pb atoms. All Tb–Pb bond lengths are 3.30 Å. Cu is bonded to six equivalent Tb atoms to form face-sharing CuTb6 octahedra. Pb is bonded in a 9-coordinate geometry to nine Tb atoms.

36 MATERIALS SCIENCE↗