Materials Data on Cs2KMnF6 by Materials Project
Cs2KMnF6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent F1- atoms to form CsF12 cuboctahedra that share corners with twelve equivalent CsF12 cuboctahedra, faces with six equivalent CsF12 cuboctahedra, faces with four equivalent KF6 octahedra, and faces with four equivalent MnF6 octahedra. All Cs–F bond lengths are 3.27 Å. K1+ is bonded to six equivalent F1- atoms to form KF6 octahedra that share corners with six equivalent MnF6 octahedra and faces with eight equivalent CsF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All K–F bond lengths are 2.62 Å. Mn3+ is bonded to six equivalent F1- atoms to form MnF6 octahedra that share corners with six equivalent KF6 octahedra and faces with eight equivalent CsF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Mn–F bond lengths are 1.99 Å. F1- is bonded in a distorted linear geometry to four equivalent Cs1+, one K1+, and one Mn3+ atom.
- 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:
- 1272083
- Report Number(s):
- mp-561461
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on Cs2KMnF6 by Materials Project
Materials Data on Cs2NaMnF6 by Materials Project
Materials Data on Cs2KGaF6 by Materials Project
Dataset
·
Tue Jul 14 00:00:00 EDT 2020
·
OSTI ID:1271697
Materials Data on Cs2NaMnF6 by Materials Project
Dataset
·
Tue Jul 14 00:00:00 EDT 2020
·
OSTI ID:1268202
Materials Data on Cs2KGaF6 by Materials Project
Dataset
·
Wed Jul 22 00:00:00 EDT 2020
·
OSTI ID:1316830