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Title: Materials Data on Ga4BiAs3 by Materials Project

Abstract

Ga4As3Bi crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional and consists of two bismuth molecules and one Ga4As3 framework. In the Ga4As3 framework, there are three inequivalent Ga2+ sites. In the first Ga2+ site, Ga2+ is bonded in a bent 120 degrees geometry to two equivalent As3- atoms. Both Ga–As bond lengths are 2.48 Å. In the second Ga2+ site, Ga2+ is bonded in a trigonal non-coplanar geometry to three As3- atoms. There are one shorter (2.52 Å) and two longer (2.53 Å) Ga–As bond lengths. In the third Ga2+ site, Ga2+ is bonded to four As3- atoms to form corner-sharing GaAs4 tetrahedra. There are two shorter (2.56 Å) and two longer (2.58 Å) Ga–As bond lengths. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded to four Ga2+ atoms to form corner-sharing AsGa4 tetrahedra. In the second As3- site, As3- is bonded to four Ga2+ atoms to form corner-sharing AsGa4 tetrahedra.

Publication Date:
Other Number(s):
mp-1224831
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; Ga4BiAs3; As-Bi-Ga
OSTI Identifier:
1665615
DOI:
https://doi.org/10.17188/1665615

Citation Formats

The Materials Project. Materials Data on Ga4BiAs3 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1665615.
The Materials Project. Materials Data on Ga4BiAs3 by Materials Project. United States. doi:https://doi.org/10.17188/1665615
The Materials Project. 2019. "Materials Data on Ga4BiAs3 by Materials Project". United States. doi:https://doi.org/10.17188/1665615. https://www.osti.gov/servlets/purl/1665615. Pub date:Sun Jan 13 00:00:00 EST 2019
@article{osti_1665615,
title = {Materials Data on Ga4BiAs3 by Materials Project},
author = {The Materials Project},
abstractNote = {Ga4As3Bi crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional and consists of two bismuth molecules and one Ga4As3 framework. In the Ga4As3 framework, there are three inequivalent Ga2+ sites. In the first Ga2+ site, Ga2+ is bonded in a bent 120 degrees geometry to two equivalent As3- atoms. Both Ga–As bond lengths are 2.48 Å. In the second Ga2+ site, Ga2+ is bonded in a trigonal non-coplanar geometry to three As3- atoms. There are one shorter (2.52 Å) and two longer (2.53 Å) Ga–As bond lengths. In the third Ga2+ site, Ga2+ is bonded to four As3- atoms to form corner-sharing GaAs4 tetrahedra. There are two shorter (2.56 Å) and two longer (2.58 Å) Ga–As bond lengths. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded to four Ga2+ atoms to form corner-sharing AsGa4 tetrahedra. In the second As3- site, As3- is bonded to four Ga2+ atoms to form corner-sharing AsGa4 tetrahedra.},
doi = {10.17188/1665615},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}