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Title: Materials Data on Tm2O3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1192617· OSTI ID:1192617

Tm2O3 is Corundum-like structured and crystallizes in the cubic Ia-3 space group. The structure is three-dimensional. there are two inequivalent Tm3+ sites. In the first Tm3+ site, Tm3+ is bonded to six equivalent O2- atoms to form a mixture of edge and corner-sharing TmO6 octahedra. The corner-sharing octahedral tilt angles are 56°. All Tm–O bond lengths are 2.26 Å. In the second Tm3+ site, Tm3+ is bonded to six equivalent O2- atoms to form a mixture of distorted edge and corner-sharing TmO6 octahedra. The corner-sharing octahedra tilt angles range from 54–56°. There are a spread of Tm–O bond distances ranging from 2.22–2.31 Å. O2- is bonded to four Tm3+ atoms to form a mixture of distorted edge and corner-sharing OTm4 trigonal pyramids.

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:
1192617
Report Number(s):
mp-1767
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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