U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on GaAs by Materials Project
Abstract
GaAs crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are six inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded in a single-bond geometry to one As3- atom. The Ga–As bond length is 2.75 Å. In the second Ga3+ site, Ga3+ is bonded in a trigonal planar geometry to three As3- atoms. There are a spread of Ga–As bond distances ranging from 2.35–2.48 Å. In the third Ga3+ site, Ga3+ is bonded in a trigonal planar geometry to three As3- atoms. There are a spread of Ga–As bond distances ranging from 2.34–2.47 Å. In the fourth Ga3+ site, Ga3+ is bonded in a trigonal planar geometry to three As3- atoms. There are one shorter (2.43 Å) and two longer (2.47 Å) Ga–As bond lengths. In the fifth Ga3+ site, Ga3+ is bonded in a trigonal planar geometry to three As3- atoms. There are one shorter (2.43 Å) and two longer (2.48 Å) Ga–As bond lengths. In the sixth Ga3+ site, Ga3+ is bonded in a distorted trigonal pyramidal geometry to four As3- atoms. There are a spread of Ga–As bond distances ranging from 2.44–2.51 Å. There are six inequivalent As3- sites. In the firstmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1232355
- 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; GaAs; As-Ga
- OSTI Identifier:
- 1746275
- DOI:
- https://doi.org/10.17188/1746275
Citation Formats
The Materials Project. Materials Data on GaAs by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1746275.
The Materials Project. Materials Data on GaAs by Materials Project. United States. doi:https://doi.org/10.17188/1746275
The Materials Project. 2020.
"Materials Data on GaAs by Materials Project". United States. doi:https://doi.org/10.17188/1746275. https://www.osti.gov/servlets/purl/1746275. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1746275,
title = {Materials Data on GaAs by Materials Project},
author = {The Materials Project},
abstractNote = {GaAs crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are six inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded in a single-bond geometry to one As3- atom. The Ga–As bond length is 2.75 Å. In the second Ga3+ site, Ga3+ is bonded in a trigonal planar geometry to three As3- atoms. There are a spread of Ga–As bond distances ranging from 2.35–2.48 Å. In the third Ga3+ site, Ga3+ is bonded in a trigonal planar geometry to three As3- atoms. There are a spread of Ga–As bond distances ranging from 2.34–2.47 Å. In the fourth Ga3+ site, Ga3+ is bonded in a trigonal planar geometry to three As3- atoms. There are one shorter (2.43 Å) and two longer (2.47 Å) Ga–As bond lengths. In the fifth Ga3+ site, Ga3+ is bonded in a trigonal planar geometry to three As3- atoms. There are one shorter (2.43 Å) and two longer (2.48 Å) Ga–As bond lengths. In the sixth Ga3+ site, Ga3+ is bonded in a distorted trigonal pyramidal geometry to four As3- atoms. There are a spread of Ga–As bond distances ranging from 2.44–2.51 Å. There are six inequivalent As3- sites. In the first As3- site, As3- is bonded in a rectangular see-saw-like geometry to four Ga3+ atoms. In the second As3- site, As3- is bonded in a distorted trigonal non-coplanar geometry to three Ga3+ atoms. In the third As3- site, As3- is bonded in a distorted trigonal non-coplanar geometry to three Ga3+ atoms. In the fourth As3- site, As3- is bonded in a trigonal planar geometry to three Ga3+ atoms. In the fifth As3- site, As3- is bonded in a trigonal planar geometry to three Ga3+ atoms. In the sixth As3- site, As3- is bonded in a single-bond geometry to one Ga3+ atom.},
doi = {10.17188/1746275},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}
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