U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on VS2Br2N3 by Materials Project
Abstract
VN3S2(Br)2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of four hydrobromic acid molecules and one VN3S2 cluster. In the VN3S2 cluster, V3+ is bonded in a 3-coordinate geometry to three N3- atoms. There are a spread of V–N bond distances ranging from 1.74–2.40 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted bent 150 degrees geometry to one V3+ and one S2- atom. The N–S bond length is 1.59 Å. In the second N3- site, N3- is bonded in a distorted trigonal planar geometry to two equivalent V3+ and one S2- atom. The N–S bond length is 1.60 Å. In the third N3- site, N3- is bonded in a distorted bent 120 degrees geometry to two S2- atoms. There is one shorter (1.59 Å) and one longer (1.61 Å) N–S bond length. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a bent 120 degrees geometry to two N3- atoms. In the second S2- site, S2- is bonded in a water-like geometry to two N3- atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-555484
- 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; VS2Br2N3; Br-N-S-V
- OSTI Identifier:
- 1268829
- DOI:
- https://doi.org/10.17188/1268829
Citation Formats
The Materials Project. Materials Data on VS2Br2N3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1268829.
The Materials Project. Materials Data on VS2Br2N3 by Materials Project. United States. doi:https://doi.org/10.17188/1268829
The Materials Project. 2020.
"Materials Data on VS2Br2N3 by Materials Project". United States. doi:https://doi.org/10.17188/1268829. https://www.osti.gov/servlets/purl/1268829. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1268829,
title = {Materials Data on VS2Br2N3 by Materials Project},
author = {The Materials Project},
abstractNote = {VN3S2(Br)2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of four hydrobromic acid molecules and one VN3S2 cluster. In the VN3S2 cluster, V3+ is bonded in a 3-coordinate geometry to three N3- atoms. There are a spread of V–N bond distances ranging from 1.74–2.40 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted bent 150 degrees geometry to one V3+ and one S2- atom. The N–S bond length is 1.59 Å. In the second N3- site, N3- is bonded in a distorted trigonal planar geometry to two equivalent V3+ and one S2- atom. The N–S bond length is 1.60 Å. In the third N3- site, N3- is bonded in a distorted bent 120 degrees geometry to two S2- atoms. There is one shorter (1.59 Å) and one longer (1.61 Å) N–S bond length. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a bent 120 degrees geometry to two N3- atoms. In the second S2- site, S2- is bonded in a water-like geometry to two N3- atoms.},
doi = {10.17188/1268829},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}