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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

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.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Magnetic behavior of manganese chloride on Kagome and honeycomb lattices

The magnetic properties of transparent pink Na 2 Mn 3 Cl 8 and NaMnCl3 are presented. For both phases, the effective magnetic moments are large, while the Curie-Weiss thetas are below 10 K. The compounds crystallize in the trigonal R-3m and R-3 space groups, respectively. A Kagome plane of Mn 2+ octahedrally coordinated to Cl- is found in Na 2 Mn 3 Cl 8 and the material has no apparent magnetic ordering above 1.8 K, while the octahedrally coordinated, honeycomb network of Mn 2+ in NaMnCl 3 orders antiferromagnetically at 6.3 ± 0.2 K. The heat capacity of NaMnCl3 has one transition, consistent with the susceptibility, while Na 2 Mn 3 Cl 8 exhibits a more complex heat capacity with two peaks, at 0.6 K and 1.4 K. A third, broad peak near 6.2 K in the heat capacity of Na 2 Mn 3 Cl 8 is problematic but may be due to the intergrowth of NaMnCl 3 domains.

36 MATERIALS SCIENCE↗