Materials Data on YbTe4Pb3 by Materials Project
YbPb3Te4 is Caswellsilverite-like structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Yb2+ is bonded to six Te2- atoms to form YbTe6 octahedra that share corners with six equivalent PbTe6 octahedra, edges with two equivalent YbTe6 octahedra, and edges with ten PbTe6 octahedra. The corner-sharing octahedra tilt angles range from 0–2°. All Yb–Te bond lengths are 3.21 Å. There are two inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded to six Te2- atoms to form PbTe6 octahedra that share corners with three equivalent YbTe6 octahedra, corners with three equivalent PbTe6 octahedra, edges with three equivalent YbTe6 octahedra, and edges with nine PbTe6 octahedra. The corner-sharing octahedra tilt angles range from 0–3°. There are a spread of Pb–Te bond distances ranging from 3.26–3.32 Å. In the second Pb2+ site, Pb2+ is bonded to six Te2- atoms to form PbTe6 octahedra that share corners with six equivalent PbTe6 octahedra, edges with four equivalent YbTe6 octahedra, and edges with eight PbTe6 octahedra. The corner-sharing octahedra tilt angles range from 2–3°. All Pb–Te bond lengths are 3.27 Å. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to two equivalent Yb2+ and four Pb2+ atoms to form a mixture of edge and corner-sharing TeYb2Pb4 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. In the second Te2- site, Te2- is bonded to one Yb2+ and five Pb2+ atoms to form a mixture of edge and corner-sharing TeYbPb5 octahedra. The corner-sharing octahedra tilt angles range from 0–1°.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1741900
- Report Number(s):
- mp-1215632
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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