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Materials Data on LuTe3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1355203· OSTI ID:1355203
LuTe3 crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two LuTe3 sheets oriented in the (0, 1, 0) direction. Lu3+ is bonded in a 7-coordinate geometry to seven Te1- atoms. There are a spread of Lu–Te bond distances ranging from 3.04–3.40 Å. There are three inequivalent Te1- sites. In the first Te1- site, Te1- is bonded in a 4-coordinate geometry to six equivalent Lu3+ atoms. In the second Te1- site, Te1- is bonded in a distorted single-bond geometry to one Lu3+ and four equivalent Te1- atoms. All Te–Te bond lengths are 3.11 Å. In the third Te1- site, Te1- is bonded in a 4-coordinate geometry to four equivalent Te1- atoms.
Research Organization:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Contributing Organization:
The Materials Project; MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231
OSTI ID:
1355203
Report Number(s):
mp-1025470
Country of Publication:
United States
Language:
English

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