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Title: Materials Data on YbTe4Pb3 by Materials Project

Abstract

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+ andmore » 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°.« less

Publication Date:
Other Number(s):
mp-1215632
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; YbTe4Pb3; Pb-Te-Yb
OSTI Identifier:
1741900
DOI:
https://doi.org/10.17188/1741900

Citation Formats

The Materials Project. Materials Data on YbTe4Pb3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1741900.
The Materials Project. Materials Data on YbTe4Pb3 by Materials Project. United States. doi:https://doi.org/10.17188/1741900
The Materials Project. 2020. "Materials Data on YbTe4Pb3 by Materials Project". United States. doi:https://doi.org/10.17188/1741900. https://www.osti.gov/servlets/purl/1741900. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1741900,
title = {Materials Data on YbTe4Pb3 by Materials Project},
author = {The Materials Project},
abstractNote = {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°.},
doi = {10.17188/1741900},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}