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Title: Materials Data on V(MoS2)2 by Materials Project

Abstract

VMo2S4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. V4+ is bonded to six S2- atoms to form VS6 octahedra that share corners with twelve equivalent MoS6 octahedra, edges with two equivalent VS6 octahedra, and faces with two equivalent MoS6 octahedra. The corner-sharing octahedra tilt angles range from 51–55°. There are four shorter (2.43 Å) and two longer (2.44 Å) V–S bond lengths. Mo2+ is bonded to six S2- atoms to form distorted MoS6 octahedra that share corners with six equivalent VS6 octahedra, edges with six equivalent MoS6 octahedra, and a faceface with one VS6 octahedra. The corner-sharing octahedra tilt angles range from 51–55°. There are a spread of Mo–S bond distances ranging from 2.38–2.60 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to one V4+ and three equivalent Mo2+ atoms. In the second S2- site, S2- is bonded in a 5-coordinate geometry to two equivalent V4+ and three equivalent Mo2+ atoms.

Publication Date:
Other Number(s):
mp-555370
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; V(MoS2)2; Mo-S-V
OSTI Identifier:
1268772
DOI:
10.17188/1268772

Citation Formats

The Materials Project. Materials Data on V(MoS2)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1268772.
The Materials Project. Materials Data on V(MoS2)2 by Materials Project. United States. doi:10.17188/1268772.
The Materials Project. 2020. "Materials Data on V(MoS2)2 by Materials Project". United States. doi:10.17188/1268772. https://www.osti.gov/servlets/purl/1268772. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1268772,
title = {Materials Data on V(MoS2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {VMo2S4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. V4+ is bonded to six S2- atoms to form VS6 octahedra that share corners with twelve equivalent MoS6 octahedra, edges with two equivalent VS6 octahedra, and faces with two equivalent MoS6 octahedra. The corner-sharing octahedra tilt angles range from 51–55°. There are four shorter (2.43 Å) and two longer (2.44 Å) V–S bond lengths. Mo2+ is bonded to six S2- atoms to form distorted MoS6 octahedra that share corners with six equivalent VS6 octahedra, edges with six equivalent MoS6 octahedra, and a faceface with one VS6 octahedra. The corner-sharing octahedra tilt angles range from 51–55°. There are a spread of Mo–S bond distances ranging from 2.38–2.60 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to one V4+ and three equivalent Mo2+ atoms. In the second S2- site, S2- is bonded in a 5-coordinate geometry to two equivalent V4+ and three equivalent Mo2+ atoms.},
doi = {10.17188/1268772},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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