U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Zn3As2 by Materials Project
Abstract
Zn3As2 is Hausmannite-like structured and crystallizes in the tetragonal I4_1cd space group. The structure is three-dimensional. there are six inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded to four As3- atoms to form a mixture of edge and corner-sharing ZnAs4 tetrahedra. There are a spread of Zn–As bond distances ranging from 2.45–2.79 Å. In the second Zn2+ site, Zn2+ is bonded to four As3- atoms to form a mixture of edge and corner-sharing ZnAs4 tetrahedra. There are a spread of Zn–As bond distances ranging from 2.45–2.75 Å. In the third Zn2+ site, Zn2+ is bonded to four As3- atoms to form a mixture of distorted edge and corner-sharing ZnAs4 tetrahedra. There are a spread of Zn–As bond distances ranging from 2.50–2.86 Å. In the fourth Zn2+ site, Zn2+ is bonded to four As3- atoms to form a mixture of edge and corner-sharing ZnAs4 tetrahedra. There are a spread of Zn–As bond distances ranging from 2.50–2.83 Å. In the fifth Zn2+ site, Zn2+ is bonded to four As3- atoms to form a mixture of edge and corner-sharing ZnAs4 tetrahedra. There are a spread of Zn–As bond distances ranging from 2.49–2.83 Å. In the sixth Zn2+ site, Zn2+ ismore »
- Publication Date:
- Other Number(s):
- mp-568240
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; As-Zn; Zn3As2; crystal structure
- OSTI Identifier:
- 1274326
- DOI:
- https://doi.org/10.17188/1274326
Citation Formats
Materials Data on Zn3As2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1274326.
Materials Data on Zn3As2 by Materials Project. United States. doi:https://doi.org/10.17188/1274326
2020.
"Materials Data on Zn3As2 by Materials Project". United States. doi:https://doi.org/10.17188/1274326. https://www.osti.gov/servlets/purl/1274326. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1274326,
title = {Materials Data on Zn3As2 by Materials Project},
abstractNote = {Zn3As2 is Hausmannite-like structured and crystallizes in the tetragonal I4_1cd space group. The structure is three-dimensional. there are six inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded to four As3- atoms to form a mixture of edge and corner-sharing ZnAs4 tetrahedra. There are a spread of Zn–As bond distances ranging from 2.45–2.79 Å. In the second Zn2+ site, Zn2+ is bonded to four As3- atoms to form a mixture of edge and corner-sharing ZnAs4 tetrahedra. There are a spread of Zn–As bond distances ranging from 2.45–2.75 Å. In the third Zn2+ site, Zn2+ is bonded to four As3- atoms to form a mixture of distorted edge and corner-sharing ZnAs4 tetrahedra. There are a spread of Zn–As bond distances ranging from 2.50–2.86 Å. In the fourth Zn2+ site, Zn2+ is bonded to four As3- atoms to form a mixture of edge and corner-sharing ZnAs4 tetrahedra. There are a spread of Zn–As bond distances ranging from 2.50–2.83 Å. In the fifth Zn2+ site, Zn2+ is bonded to four As3- atoms to form a mixture of edge and corner-sharing ZnAs4 tetrahedra. There are a spread of Zn–As bond distances ranging from 2.49–2.83 Å. In the sixth Zn2+ site, Zn2+ is bonded to four As3- atoms to form a mixture of edge and corner-sharing ZnAs4 tetrahedra. There are a spread of Zn–As bond distances ranging from 2.48–2.83 Å. There are five inequivalent As3- sites. In the first As3- site, As3- is bonded in a 6-coordinate geometry to six Zn2+ atoms. In the second As3- site, As3- is bonded in a 6-coordinate geometry to six Zn2+ atoms. In the third As3- site, As3- is bonded in a 6-coordinate geometry to six Zn2+ atoms. In the fourth As3- site, As3- is bonded in a 6-coordinate geometry to six Zn2+ atoms. In the fifth As3- site, As3- is bonded in a 6-coordinate geometry to six Zn2+ atoms.},
doi = {10.17188/1274326},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}