Materials Data on NaMnCl3 by Materials Project
NaMnCl3 is Ilmenite structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Na1+ is bonded to six equivalent Cl1- atoms to form distorted NaCl6 octahedra that share corners with nine equivalent MnCl6 octahedra, edges with three equivalent NaCl6 octahedra, and a faceface with one MnCl6 octahedra. The corner-sharing octahedra tilt angles range from 40–58°. There are three shorter (2.78 Å) and three longer (2.94 Å) Na–Cl bond lengths. Mn2+ is bonded to six equivalent Cl1- atoms to form MnCl6 octahedra that share corners with nine equivalent NaCl6 octahedra, edges with three equivalent MnCl6 octahedra, and a faceface with one NaCl6 octahedra. The corner-sharing octahedra tilt angles range from 40–58°. There are three shorter (2.53 Å) and three longer (2.59 Å) Mn–Cl bond lengths. Cl1- is bonded in a distorted see-saw-like geometry to two equivalent Na1+ and two equivalent Mn2+ 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:
- 1201387
- Report Number(s):
- mp-27176
- Country of Publication:
- United States
- Language:
- English
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