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Materials Data on TmTe3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1700435· OSTI ID:1700435
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 9-coordinate geometry to nine Te1- atoms. There are a spread of Tm–Te bond distances ranging from 3.17–3.27 Å. There are three inequivalent Te1- sites. In the first Te1- site, Te1- is bonded in a 5-coordinate geometry to five equivalent Tm3+ atoms. In the second Te1- site, Te1- is bonded in a 6-coordinate geometry to two equivalent Tm3+ and four equivalent Te1- atoms. All Te–Te bond lengths are 3.07 Å. In the third Te1- site, Te1- is bonded in a 6-coordinate geometry to two equivalent Tm3+ and 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:
1700435
Report Number(s):
mp-1087512
Country of Publication:
United States
Language:
English

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