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Title: Materials Data on Ta2Br5 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1283495· OSTI ID:1283495

Ta2Br5 crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Ta is bonded to five Br atoms to form distorted corner-sharing TaBr5 square pyramids. There are a spread of Ta–Br bond distances ranging from 2.59–2.88 Å. There are three inequivalent Br sites. In the first Br site, Br is bonded in a bent 150 degrees geometry to two equivalent Ta atoms. In the second Br site, Br is bonded in a 2-coordinate geometry to two equivalent Ta atoms. In the third Br site, Br is bonded in a 2-coordinate geometry to two equivalent Ta atoms.

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:
1283495
Report Number(s):
mp-680077
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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