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Title: Materials Data on LiVTeO5 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1279035· OSTI ID:1279035

LiVTeO5 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. Li1+ is bonded to four O2- atoms to form LiO4 trigonal pyramids that share corners with three equivalent VO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.94–2.18 Å. V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with three equivalent LiO4 trigonal pyramids. There are a spread of V–O bond distances ranging from 1.66–1.88 Å. Te4+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Te–O bond distances ranging from 1.81–2.00 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Li1+ and one Te4+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one Li1+ and one V5+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one Li1+ and one V5+ atom. In the fourth O2- site, O2- is bonded in a trigonal planar geometry to one Li1+, one V5+, and one Te4+ atom. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to one V5+ and one Te4+ atom.

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:
1279035
Report Number(s):
mp-631247
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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