Materials Data on K2Mn(PS3)2 by Materials Project

Abstract

K2Mn(PS3)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of K–S bond distances ranging from 3.29–3.63 Å. Mn2+ is bonded in an octahedral geometry to six S2- atoms. There are a spread of Mn–S bond distances ranging from 2.60–2.69 Å. P4+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. All P–S bond lengths are 2.03 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to three equivalent K1+, one Mn2+, and one P4+ atom. In the second S2- site, S2- is bonded in a 4-coordinate geometry to two equivalent K1+, one Mn2+, and one P4+ atom. In the third S2- site, S2- is bonded in a 4-coordinate geometry to two equivalent K1+, one Mn2+, and one P4+ atom.