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Title: Materials Data on As4Se3 by Materials Project

Abstract

As4Se3 is beta Np structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four 3,5,7-triselena-1,2,4,6-tetrarsatricyclo[2.2.1.0^{2,6}]heptane molecules. there are three inequivalent As+1.50+ sites. In the first As+1.50+ site, As+1.50+ is bonded in a single-bond geometry to one Se2- atom. The As–Se bond length is 2.38 Å. In the second As+1.50+ site, As+1.50+ is bonded in a distorted trigonal non-coplanar geometry to three Se2- atoms. All As–Se bond lengths are 2.41 Å. In the third As+1.50+ site, As+1.50+ is bonded in a single-bond geometry to one Se2- atom. The As–Se bond length is 2.38 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a water-like geometry to two As+1.50+ atoms. In the second Se2- site, Se2- is bonded in a water-like geometry to two As+1.50+ atoms.

Publication Date:
Other Number(s):
mp-1194350
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; As4Se3; As-Se
OSTI Identifier:
1685427
DOI:
https://doi.org/10.17188/1685427

Citation Formats

The Materials Project. Materials Data on As4Se3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1685427.
The Materials Project. Materials Data on As4Se3 by Materials Project. United States. doi:https://doi.org/10.17188/1685427
The Materials Project. 2020. "Materials Data on As4Se3 by Materials Project". United States. doi:https://doi.org/10.17188/1685427. https://www.osti.gov/servlets/purl/1685427. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1685427,
title = {Materials Data on As4Se3 by Materials Project},
author = {The Materials Project},
abstractNote = {As4Se3 is beta Np structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four 3,5,7-triselena-1,2,4,6-tetrarsatricyclo[2.2.1.0^{2,6}]heptane molecules. there are three inequivalent As+1.50+ sites. In the first As+1.50+ site, As+1.50+ is bonded in a single-bond geometry to one Se2- atom. The As–Se bond length is 2.38 Å. In the second As+1.50+ site, As+1.50+ is bonded in a distorted trigonal non-coplanar geometry to three Se2- atoms. All As–Se bond lengths are 2.41 Å. In the third As+1.50+ site, As+1.50+ is bonded in a single-bond geometry to one Se2- atom. The As–Se bond length is 2.38 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a water-like geometry to two As+1.50+ atoms. In the second Se2- site, Se2- is bonded in a water-like geometry to two As+1.50+ atoms.},
doi = {10.17188/1685427},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}