10.17188/1314058
None Available
Materials Data on K3Zr by Materials Project
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
2020
Specialized Mix
36 MATERIALS SCIENCE
crystal structure
K3Zr
K-Zr
The Materials Project
2020
en
K3Zr is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded to four equivalent K and four equivalent Zr atoms to form a mixture of distorted edge, corner, and face-sharing KK4Zr4 tetrahedra. All K–K bond lengths are 4.04 Å. All K–Zr bond lengths are 4.04 Å. In the second K site, K is bonded in a body-centered cubic geometry to eight equivalent K atoms. Zr is bonded in a body-centered cubic geometry to eight equivalent K atoms.