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Title: Materials Data on ZrTe by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1274782· OSTI ID:1274782

ZrTe is Modderite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Zr2+ is bonded to six equivalent Te2- atoms to form a mixture of distorted corner, edge, and face-sharing ZrTe6 octahedra. The corner-sharing octahedra tilt angles range from 40–54°. There are a spread of Zr–Te bond distances ranging from 2.89–3.08 Å. Te2- is bonded in a 6-coordinate geometry to six equivalent Zr2+ 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:
1274782
Report Number(s):
mp-568865
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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