Materials Data on Na2Mn(H2N)4 by Materials Project

Abstract

Na2Mn(NH2)4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 7-coordinate geometry to six N3- and five H1+ atoms. There are a spread of Na–N bond distances ranging from 2.48–2.95 Å. There are a spread of Na–H bond distances ranging from 2.41–2.64 Å. In the second Na1+ site, Na1+ is bonded in a 2-coordinate geometry to four N3- and three H1+ atoms. There are a spread of Na–N bond distances ranging from 2.47–2.63 Å. There are a spread of Na–H bond distances ranging from 2.33–2.56 Å. Mn2+ is bonded in a tetrahedral geometry to four N3- atoms. There are a spread of Mn–N bond distances ranging from 1.98–2.08 Å. There are four inequivalent N3- sites. In the first N3- site, N3- is bonded in a 2-coordinate geometry to two Na1+, one Mn2+, and two H1+ atoms. There is one shorter (1.03 Å) and one longer (1.04 Å) N–H bond length. In the second N3- site, N3- is bonded in a distorted water-like geometry to three Na1+, one Mn2+, and two H1+ atoms. Both N–H bond lengths are 1.03 Å. In the third N3- site, N3- is bonded in a 2-coordinate geometry to two Na1+, one Mn2+, and two H1+ atoms. Both N–H bond lengths are 1.03 Å. In the fourth N3- site, N3- is bonded in a distorted water-like geometry to three Na1+, one Mn2+, and two H1+ atoms. There is one shorter (1.03 Å) and one longer (1.04 Å) N–H bond length. There are eight inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one Na1+ and one N3- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to two Na1+ and one N3- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one Na1+ and one N3- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one Na1+ and one N3- atom. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one Na1+ and one N3- atom. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the seventh H1+ site, H1+ is bonded in a single-bond geometry to one Na1+ and one N3- atom. In the eighth H1+ site, H1+ is bonded in a single-bond geometry to one Na1+ and one N3- atom.