DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on K2Zr by Materials Project

Abstract

K2Zr crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded to six equivalent K and five equivalent Zr atoms to form a mixture of face and corner-sharing KK6Zr5 trigonal bipyramids. There are four shorter (4.26 Å) and two longer (4.32 Å) K–K bond lengths. There are a spread of K–Zr bond distances ranging from 3.79–3.93 Å. In the second K site, K is bonded in a 8-coordinate geometry to eight K and six equivalent Zr atoms. Both K–K bond lengths are 3.93 Å. There are four shorter (4.26 Å) and two longer (4.31 Å) K–Zr bond lengths. Zr is bonded in a 5-coordinate geometry to eleven K atoms.

Authors:
Publication Date:
Other Number(s):
mp-1077243
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; K2Zr; K-Zr
OSTI Identifier:
1740596
DOI:
https://doi.org/10.17188/1740596

Citation Formats

The Materials Project. Materials Data on K2Zr by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1740596.
The Materials Project. Materials Data on K2Zr by Materials Project. United States. doi:https://doi.org/10.17188/1740596
The Materials Project. 2020. "Materials Data on K2Zr by Materials Project". United States. doi:https://doi.org/10.17188/1740596. https://www.osti.gov/servlets/purl/1740596. Pub date:Sun Apr 26 00:00:00 EDT 2020
@article{osti_1740596,
title = {Materials Data on K2Zr by Materials Project},
author = {The Materials Project},
abstractNote = {K2Zr crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded to six equivalent K and five equivalent Zr atoms to form a mixture of face and corner-sharing KK6Zr5 trigonal bipyramids. There are four shorter (4.26 Å) and two longer (4.32 Å) K–K bond lengths. There are a spread of K–Zr bond distances ranging from 3.79–3.93 Å. In the second K site, K is bonded in a 8-coordinate geometry to eight K and six equivalent Zr atoms. Both K–K bond lengths are 3.93 Å. There are four shorter (4.26 Å) and two longer (4.31 Å) K–Zr bond lengths. Zr is bonded in a 5-coordinate geometry to eleven K atoms.},
doi = {10.17188/1740596},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}