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Materials Data on TmTe3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1355324· OSTI ID:1355324
TmTe3 crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two TmTe3 sheets oriented in the (0, 1, 0) direction. Tm3+ is bonded in a 7-coordinate geometry to seven Te1- atoms. There are a spread of Tm–Te bond distances ranging from 3.05–3.44 Å. There are three inequivalent Te1- sites. In the first Te1- site, Te1- is bonded in a 4-coordinate geometry to six equivalent Tm3+ atoms. In the second Te1- site, Te1- is bonded in a distorted single-bond geometry to one Tm3+ 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:
1355324
Report Number(s):
mp-1025537
Country of Publication:
United States
Language:
English

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