Materials Data on Cs2KSmCl6 by Materials Project
Cs2KSmCl6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent Cl1- atoms to form CsCl12 cuboctahedra that share corners with twelve equivalent CsCl12 cuboctahedra, faces with six equivalent CsCl12 cuboctahedra, faces with four equivalent KCl6 octahedra, and faces with four equivalent SmCl6 octahedra. All Cs–Cl bond lengths are 4.06 Å. K1+ is bonded to six equivalent Cl1- atoms to form KCl6 octahedra that share corners with six equivalent SmCl6 octahedra and faces with eight equivalent CsCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All K–Cl bond lengths are 3.03 Å. Sm3+ is bonded to six equivalent Cl1- atoms to form SmCl6 octahedra that share corners with six equivalent KCl6 octahedra and faces with eight equivalent CsCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Sm–Cl bond lengths are 2.70 Å. Cl1- is bonded in a distorted linear geometry to four equivalent Cs1+, one K1+, and one Sm3+ 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:
- 1720591
- Report Number(s):
- mp-1079871
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on Cs2KEuCl6 by Materials Project
Materials Data on Cs2NaSmCl6 by Materials Project
Materials Data on Cs2RbSmCl6 by Materials Project
Dataset
·
Wed Jul 15 00:00:00 EDT 2020
·
OSTI ID:1276716
Materials Data on Cs2NaSmCl6 by Materials Project
Dataset
·
Fri Jul 17 00:00:00 EDT 2020
·
OSTI ID:1276778
Materials Data on Cs2RbSmCl6 by Materials Project
Dataset
·
Sun May 03 00:00:00 EDT 2020
·
OSTI ID:1710410