U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on K2Zn5As4 by Materials Project
Abstract
K2Zn5As4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. K1+ is bonded in a 4-coordinate geometry to four As3- atoms. There are two shorter (3.40 Å) and two longer (3.48 Å) K–As bond lengths. There are three inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded to four As3- atoms to form a mixture of corner and edge-sharing ZnAs4 tetrahedra. There are a spread of Zn–As bond distances ranging from 2.51–2.67 Å. In the second Zn2+ site, Zn2+ is bonded to four As3- atoms to form a mixture of corner and edge-sharing ZnAs4 tetrahedra. There are a spread of Zn–As bond distances ranging from 2.49–2.70 Å. In the third Zn2+ site, Zn2+ is bonded in a 4-coordinate geometry to four As3- atoms. There are two shorter (2.57 Å) and two longer (2.63 Å) Zn–As bond lengths. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded in a 7-coordinate geometry to two equivalent K1+ and five Zn2+ atoms. In the second As3- site, As3- is bonded in a 5-coordinate geometry to two equivalent K1+ and five Zn2+ atoms.
- Publication Date:
- Other Number(s):
- mp-1191100
- 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-K-Zn; K2Zn5As4; crystal structure
- OSTI Identifier:
- 1694887
- DOI:
- https://doi.org/10.17188/1694887
Citation Formats
Materials Data on K2Zn5As4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1694887.
Materials Data on K2Zn5As4 by Materials Project. United States. doi:https://doi.org/10.17188/1694887
2020.
"Materials Data on K2Zn5As4 by Materials Project". United States. doi:https://doi.org/10.17188/1694887. https://www.osti.gov/servlets/purl/1694887. Pub date:Sat May 02 04:00:00 UTC 2020
@article{osti_1694887,
title = {Materials Data on K2Zn5As4 by Materials Project},
abstractNote = {K2Zn5As4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. K1+ is bonded in a 4-coordinate geometry to four As3- atoms. There are two shorter (3.40 Å) and two longer (3.48 Å) K–As bond lengths. There are three inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded to four As3- atoms to form a mixture of corner and edge-sharing ZnAs4 tetrahedra. There are a spread of Zn–As bond distances ranging from 2.51–2.67 Å. In the second Zn2+ site, Zn2+ is bonded to four As3- atoms to form a mixture of corner and edge-sharing ZnAs4 tetrahedra. There are a spread of Zn–As bond distances ranging from 2.49–2.70 Å. In the third Zn2+ site, Zn2+ is bonded in a 4-coordinate geometry to four As3- atoms. There are two shorter (2.57 Å) and two longer (2.63 Å) Zn–As bond lengths. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded in a 7-coordinate geometry to two equivalent K1+ and five Zn2+ atoms. In the second As3- site, As3- is bonded in a 5-coordinate geometry to two equivalent K1+ and five Zn2+ atoms.},
doi = {10.17188/1694887},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}