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Title: Materials Data on Bi2Te5Pb2 by Materials Project

Abstract

Pb2Bi2Te5 crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one Pb2Bi2Te5 sheet oriented in the (0, 0, 1) direction. Pb2+ is bonded to six Te2- atoms to form distorted PbTe6 octahedra that share corners with three equivalent BiTe6 octahedra, edges with three equivalent BiTe6 octahedra, and edges with six equivalent PbTe6 octahedra. The corner-sharing octahedral tilt angles are 12°. There are three shorter (3.06 Å) and three longer (3.66 Å) Pb–Te bond lengths. Bi3+ is bonded to six Te2- atoms to form BiTe6 octahedra that share corners with three equivalent PbTe6 octahedra, corners with three equivalent BiTe6 octahedra, edges with three equivalent PbTe6 octahedra, and edges with nine equivalent BiTe6 octahedra. The corner-sharing octahedra tilt angles range from 0–12°. There are three shorter (3.11 Å) and three longer (3.30 Å) Bi–Te bond lengths. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 6-coordinate geometry to three equivalent Pb2+ atoms. In the second Te2- site, Te2- is bonded to three equivalent Pb2+ and three equivalent Bi3+ atoms to form TeBi3Pb3 octahedra that share corners with three equivalent TeBi6 octahedra and edges with nine TeBi3Pb3 octahedra. The corner-sharing octahedralmore » tilt angles are 5°. In the third Te2- site, Te2- is bonded to six equivalent Bi3+ atoms to form a mixture of corner and edge-sharing TeBi6 octahedra. The corner-sharing octahedral tilt angles are 5°.« less

Publication Date:
Other Number(s):
mp-569044
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; Bi2Te5Pb2; Bi-Pb-Te
OSTI Identifier:
1274907
DOI:
10.17188/1274907

Citation Formats

The Materials Project. Materials Data on Bi2Te5Pb2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1274907.
The Materials Project. Materials Data on Bi2Te5Pb2 by Materials Project. United States. doi:10.17188/1274907.
The Materials Project. 2020. "Materials Data on Bi2Te5Pb2 by Materials Project". United States. doi:10.17188/1274907. https://www.osti.gov/servlets/purl/1274907. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1274907,
title = {Materials Data on Bi2Te5Pb2 by Materials Project},
author = {The Materials Project},
abstractNote = {Pb2Bi2Te5 crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one Pb2Bi2Te5 sheet oriented in the (0, 0, 1) direction. Pb2+ is bonded to six Te2- atoms to form distorted PbTe6 octahedra that share corners with three equivalent BiTe6 octahedra, edges with three equivalent BiTe6 octahedra, and edges with six equivalent PbTe6 octahedra. The corner-sharing octahedral tilt angles are 12°. There are three shorter (3.06 Å) and three longer (3.66 Å) Pb–Te bond lengths. Bi3+ is bonded to six Te2- atoms to form BiTe6 octahedra that share corners with three equivalent PbTe6 octahedra, corners with three equivalent BiTe6 octahedra, edges with three equivalent PbTe6 octahedra, and edges with nine equivalent BiTe6 octahedra. The corner-sharing octahedra tilt angles range from 0–12°. There are three shorter (3.11 Å) and three longer (3.30 Å) Bi–Te bond lengths. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 6-coordinate geometry to three equivalent Pb2+ atoms. In the second Te2- site, Te2- is bonded to three equivalent Pb2+ and three equivalent Bi3+ atoms to form TeBi3Pb3 octahedra that share corners with three equivalent TeBi6 octahedra and edges with nine TeBi3Pb3 octahedra. The corner-sharing octahedral tilt angles are 5°. In the third Te2- site, Te2- is bonded to six equivalent Bi3+ atoms to form a mixture of corner and edge-sharing TeBi6 octahedra. The corner-sharing octahedral tilt angles are 5°.},
doi = {10.17188/1274907},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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