U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Cd3As2 by Materials Project
Abstract
Cd3As2 is Hausmannite-like structured and crystallizes in the tetragonal I4_1/acd space group. The structure is three-dimensional. there are three inequivalent Cd2+ sites. In the first Cd2+ site, Cd2+ is bonded to four As3- atoms to form a mixture of edge and corner-sharing CdAs4 tetrahedra. There are a spread of Cd–As bond distances ranging from 2.69–3.05 Å. In the second Cd2+ site, Cd2+ is bonded to four As3- atoms to form a mixture of edge and corner-sharing CdAs4 tetrahedra. There are a spread of Cd–As bond distances ranging from 2.65–3.00 Å. In the third Cd2+ site, Cd2+ is bonded to four As3- atoms to form a mixture of distorted edge and corner-sharing CdAs4 tetrahedra. There are a spread of Cd–As bond distances ranging from 2.71–3.10 Å. There are three inequivalent As3- sites. In the first As3- site, As3- is bonded in a 6-coordinate geometry to six Cd2+ atoms. In the second As3- site, As3- is bonded in a 6-coordinate geometry to six Cd2+ atoms. In the third As3- site, As3- is bonded in a 6-coordinate geometry to six Cd2+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-570634
- 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; Cd3As2; As-Cd
- OSTI Identifier:
- 1275826
- DOI:
- https://doi.org/10.17188/1275826
Citation Formats
The Materials Project. Materials Data on Cd3As2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1275826.
The Materials Project. Materials Data on Cd3As2 by Materials Project. United States. doi:https://doi.org/10.17188/1275826
The Materials Project. 2020.
"Materials Data on Cd3As2 by Materials Project". United States. doi:https://doi.org/10.17188/1275826. https://www.osti.gov/servlets/purl/1275826. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1275826,
title = {Materials Data on Cd3As2 by Materials Project},
author = {The Materials Project},
abstractNote = {Cd3As2 is Hausmannite-like structured and crystallizes in the tetragonal I4_1/acd space group. The structure is three-dimensional. there are three inequivalent Cd2+ sites. In the first Cd2+ site, Cd2+ is bonded to four As3- atoms to form a mixture of edge and corner-sharing CdAs4 tetrahedra. There are a spread of Cd–As bond distances ranging from 2.69–3.05 Å. In the second Cd2+ site, Cd2+ is bonded to four As3- atoms to form a mixture of edge and corner-sharing CdAs4 tetrahedra. There are a spread of Cd–As bond distances ranging from 2.65–3.00 Å. In the third Cd2+ site, Cd2+ is bonded to four As3- atoms to form a mixture of distorted edge and corner-sharing CdAs4 tetrahedra. There are a spread of Cd–As bond distances ranging from 2.71–3.10 Å. There are three inequivalent As3- sites. In the first As3- site, As3- is bonded in a 6-coordinate geometry to six Cd2+ atoms. In the second As3- site, As3- is bonded in a 6-coordinate geometry to six Cd2+ atoms. In the third As3- site, As3- is bonded in a 6-coordinate geometry to six Cd2+ atoms.},
doi = {10.17188/1275826},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Apr 30 00:00:00 EDT 2020},
month = {Thu Apr 30 00:00:00 EDT 2020}
}