Materials Data on Na2MnInSi2O9 by Materials Project

Abstract

Na2MnInSi2O9 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. Na1+ is bonded in a 3-coordinate geometry to five O2- atoms. There are a spread of Na–O bond distances ranging from 2.33–2.87 Å. Mn7+ is bonded to five O2- atoms to form MnO5 trigonal bipyramids that share a cornercorner with one InO6 pentagonal pyramid, corners with four equivalent SiO4 tetrahedra, and a faceface with one InO6 pentagonal pyramid. There are a spread of Mn–O bond distances ranging from 1.81–1.97 Å. In1+ is bonded to six O2- atoms to form distorted InO6 pentagonal pyramids that share corners with two equivalent InO6 pentagonal pyramids, corners with four equivalent SiO4 tetrahedra, a cornercorner with one MnO5 trigonal bipyramid, and a faceface with one MnO5 trigonal bipyramid. There are a spread of In–O bond distances ranging from 2.10–2.34 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with two equivalent InO6 pentagonal pyramids and corners with two equivalent MnO5 trigonal bipyramids. There are a spread of Si–O bond distances ranging from 1.61–1.68 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Na1+, one In1+, and one Si4+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent Na1+ and one Si4+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Mn7+ and two equivalent In1+ atoms. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to one Mn7+ and one Si4+ atom. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to one Na1+, one Mn7+, one In1+, and one Si4+ atom.