U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CsZn4As3 by Materials Project
Abstract
CsZn4As3 is alpha bismuth trifluoride-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Cs1+ is bonded in a body-centered cubic geometry to eight equivalent As3- atoms. All Cs–As bond lengths are 3.82 Å. Zn2+ is bonded to four As3- atoms to form a mixture of edge and corner-sharing ZnAs4 tetrahedra. There are two shorter (2.53 Å) and two longer (2.68 Å) Zn–As bond lengths. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded in a 8-coordinate geometry to four equivalent Cs1+ and four equivalent Zn2+ atoms. In the second As3- site, As3- is bonded in a body-centered cubic geometry to eight equivalent Zn2+ atoms.
- Publication Date:
- Other Number(s):
- mp-1084778
- 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-Cs-Zn; CsZn4As3; crystal structure
- OSTI Identifier:
- 1721910
- DOI:
- https://doi.org/10.17188/1721910
Citation Formats
Materials Data on CsZn4As3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1721910.
Materials Data on CsZn4As3 by Materials Project. United States. doi:https://doi.org/10.17188/1721910
2020.
"Materials Data on CsZn4As3 by Materials Project". United States. doi:https://doi.org/10.17188/1721910. https://www.osti.gov/servlets/purl/1721910. Pub date:Sun May 03 04:00:00 UTC 2020
@article{osti_1721910,
title = {Materials Data on CsZn4As3 by Materials Project},
abstractNote = {CsZn4As3 is alpha bismuth trifluoride-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Cs1+ is bonded in a body-centered cubic geometry to eight equivalent As3- atoms. All Cs–As bond lengths are 3.82 Å. Zn2+ is bonded to four As3- atoms to form a mixture of edge and corner-sharing ZnAs4 tetrahedra. There are two shorter (2.53 Å) and two longer (2.68 Å) Zn–As bond lengths. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded in a 8-coordinate geometry to four equivalent Cs1+ and four equivalent Zn2+ atoms. In the second As3- site, As3- is bonded in a body-centered cubic geometry to eight equivalent Zn2+ atoms.},
doi = {10.17188/1721910},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}
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