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Title: Materials Data on VTe2 by Materials Project

Abstract

VTe2 is Molybdenite-like structured and crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one VTe2 sheet oriented in the (2, 0, -1) direction. there are two inequivalent V4+ sites. In the first V4+ site, V4+ is bonded to six Te2- atoms to form edge-sharing VTe6 octahedra. There are four shorter (2.73 Å) and two longer (2.77 Å) V–Te bond lengths. In the second V4+ site, V4+ is bonded to six Te2- atoms to form distorted edge-sharing VTe6 octahedra. There are a spread of V–Te bond distances ranging from 2.56–2.80 Å. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 3-coordinate geometry to three V4+ atoms. In the second Te2- site, Te2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent V4+ atoms. In the third Te2- site, Te2- is bonded in a 3-coordinate geometry to three V4+ atoms.

Publication Date:
Other Number(s):
mp-11687
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; VTe2; Te-V
OSTI Identifier:
1188280
DOI:
https://doi.org/10.17188/1188280

Citation Formats

The Materials Project. Materials Data on VTe2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1188280.
The Materials Project. Materials Data on VTe2 by Materials Project. United States. doi:https://doi.org/10.17188/1188280
The Materials Project. 2020. "Materials Data on VTe2 by Materials Project". United States. doi:https://doi.org/10.17188/1188280. https://www.osti.gov/servlets/purl/1188280. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1188280,
title = {Materials Data on VTe2 by Materials Project},
author = {The Materials Project},
abstractNote = {VTe2 is Molybdenite-like structured and crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one VTe2 sheet oriented in the (2, 0, -1) direction. there are two inequivalent V4+ sites. In the first V4+ site, V4+ is bonded to six Te2- atoms to form edge-sharing VTe6 octahedra. There are four shorter (2.73 Å) and two longer (2.77 Å) V–Te bond lengths. In the second V4+ site, V4+ is bonded to six Te2- atoms to form distorted edge-sharing VTe6 octahedra. There are a spread of V–Te bond distances ranging from 2.56–2.80 Å. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 3-coordinate geometry to three V4+ atoms. In the second Te2- site, Te2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent V4+ atoms. In the third Te2- site, Te2- is bonded in a 3-coordinate geometry to three V4+ atoms.},
doi = {10.17188/1188280},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}