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Title: Materials Data on K4ZnP2 by Materials Project

Abstract

K4ZnP2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded to four equivalent P3- atoms to form a mixture of corner and edge-sharing KP4 tetrahedra. There are one shorter (3.27 Å) and three longer (3.44 Å) K–P bond lengths. In the second K1+ site, K1+ is bonded in a trigonal non-coplanar geometry to three equivalent P3- atoms. All K–P bond lengths are 3.38 Å. Zn2+ is bonded in a linear geometry to two equivalent P3- atoms. Both Zn–P bond lengths are 2.23 Å. P3- is bonded in a distorted body-centered cubic geometry to seven K1+ and one Zn2+ atom.

Authors:
Publication Date:
Other Number(s):
mp-11719
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; K4ZnP2; K-P-Zn
OSTI Identifier:
1188305
DOI:
https://doi.org/10.17188/1188305

Citation Formats

The Materials Project. Materials Data on K4ZnP2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1188305.
The Materials Project. Materials Data on K4ZnP2 by Materials Project. United States. doi:https://doi.org/10.17188/1188305
The Materials Project. 2020. "Materials Data on K4ZnP2 by Materials Project". United States. doi:https://doi.org/10.17188/1188305. https://www.osti.gov/servlets/purl/1188305. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1188305,
title = {Materials Data on K4ZnP2 by Materials Project},
author = {The Materials Project},
abstractNote = {K4ZnP2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded to four equivalent P3- atoms to form a mixture of corner and edge-sharing KP4 tetrahedra. There are one shorter (3.27 Å) and three longer (3.44 Å) K–P bond lengths. In the second K1+ site, K1+ is bonded in a trigonal non-coplanar geometry to three equivalent P3- atoms. All K–P bond lengths are 3.38 Å. Zn2+ is bonded in a linear geometry to two equivalent P3- atoms. Both Zn–P bond lengths are 2.23 Å. P3- is bonded in a distorted body-centered cubic geometry to seven K1+ and one Zn2+ atom.},
doi = {10.17188/1188305},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}