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Title: Materials Data on TaPbSe2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1274020· OSTI ID:1274020

PbTaSe2 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Ta is bonded to six equivalent Se atoms to form distorted edge-sharing TaSe6 pentagonal pyramids. All Ta–Se bond lengths are 2.61 Å. Pb is bonded in a distorted linear geometry to two equivalent Se atoms. Both Pb–Se bond lengths are 3.08 Å. Se is bonded in a 4-coordinate geometry to three equivalent Ta and one Pb atom.

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:
1274020
Report Number(s):
mp-567736
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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