Materials Data on K3Ru by Materials Project
K3Ru is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm 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 Ru atoms to form distorted KK4Ru4 tetrahedra that share corners with eight equivalent KK8Ru4 cuboctahedra, corners with eight equivalent KK4Ru4 tetrahedra, edges with four equivalent KK8Ru4 cuboctahedra, edges with twelve equivalent KK4Ru4 tetrahedra, and faces with six equivalent KK4Ru4 tetrahedra. All K–K bond lengths are 3.69 Å. All K–Ru bond lengths are 3.69 Å. In the second K site, K is bonded to eight equivalent K and four equivalent Ru atoms to form KK8Ru4 cuboctahedra that share corners with four equivalent KK8Ru4 cuboctahedra, corners with sixteen equivalent KK4Ru4 tetrahedra, edges with eight equivalent KK8Ru4 cuboctahedra, edges with eight equivalent KK4Ru4 tetrahedra, and faces with four equivalent KK8Ru4 cuboctahedra. All K–Ru bond lengths are 4.18 Å. Ru is bonded in a body-centered cubic geometry to twelve K atoms.
- Research Organization:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Contributing Organization:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231
- OSTI ID:
- 1739336
- Report Number(s):
- mp-1185059
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on Ru3Cl by Materials Project
Materials Data on K3W by Materials Project
Materials Data on K3Ir by Materials Project
Dataset
·
Tue Jul 21 00:00:00 EDT 2020
·
OSTI ID:1314505
Materials Data on K3W by Materials Project
Dataset
·
Thu Jul 23 00:00:00 EDT 2020
·
OSTI ID:1651930
Materials Data on K3Ir by Materials Project
Dataset
·
Sun May 03 00:00:00 EDT 2020
·
OSTI ID:1746429