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.
- Authors:
- Publication Date:
- Other Number(s):
- mp-11687
- 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; 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 = {Thu Jul 16 00:00:00 EDT 2020},
month = {Thu Jul 16 00:00:00 EDT 2020}
}