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Title: Materials Data on TmTe3O8 by Materials Project

Abstract

TmTe3O8 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Tm is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Tm–O bond distances ranging from 2.33–2.43 Å. There are two inequivalent Te sites. In the first Te site, Te is bonded to five O atoms to form distorted TeO5 square pyramids that share corners with three equivalent TeO6 octahedra and an edgeedge with one TeO5 square pyramid. The corner-sharing octahedra tilt angles range from 50–65°. There are a spread of Te–O bond distances ranging from 1.98–2.27 Å. In the second Te site, Te is bonded to six O atoms to form corner-sharing TeO6 octahedra. There are a spread of Te–O bond distances ranging from 2.05–2.10 Å. There are four inequivalent O sites. In the first O site, O is bonded in a distorted trigonal planar geometry to one Tm and two Te atoms. In the second O site, O is bonded in a distorted trigonal planar geometry to one Tm and two equivalent Te atoms. In the third O site, O is bonded in a distorted trigonal non-coplanar geometry to one Tm and two Te atoms. In the fourth O site, Omore » is bonded in a trigonal planar geometry to one Tm and two Te atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-772096
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; TmTe3O8; O-Te-Tm
OSTI Identifier:
1301053
DOI:
https://doi.org/10.17188/1301053

Citation Formats

The Materials Project. Materials Data on TmTe3O8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1301053.
The Materials Project. Materials Data on TmTe3O8 by Materials Project. United States. doi:https://doi.org/10.17188/1301053
The Materials Project. 2020. "Materials Data on TmTe3O8 by Materials Project". United States. doi:https://doi.org/10.17188/1301053. https://www.osti.gov/servlets/purl/1301053. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1301053,
title = {Materials Data on TmTe3O8 by Materials Project},
author = {The Materials Project},
abstractNote = {TmTe3O8 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Tm is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Tm–O bond distances ranging from 2.33–2.43 Å. There are two inequivalent Te sites. In the first Te site, Te is bonded to five O atoms to form distorted TeO5 square pyramids that share corners with three equivalent TeO6 octahedra and an edgeedge with one TeO5 square pyramid. The corner-sharing octahedra tilt angles range from 50–65°. There are a spread of Te–O bond distances ranging from 1.98–2.27 Å. In the second Te site, Te is bonded to six O atoms to form corner-sharing TeO6 octahedra. There are a spread of Te–O bond distances ranging from 2.05–2.10 Å. There are four inequivalent O sites. In the first O site, O is bonded in a distorted trigonal planar geometry to one Tm and two Te atoms. In the second O site, O is bonded in a distorted trigonal planar geometry to one Tm and two equivalent Te atoms. In the third O site, O is bonded in a distorted trigonal non-coplanar geometry to one Tm and two Te atoms. In the fourth O site, O is bonded in a trigonal planar geometry to one Tm and two Te atoms.},
doi = {10.17188/1301053},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}