Results for “Mn(H2N)2” | Engineering Papers

DOE OSTI2020

Materials Data on Mn(H2N)2 by Materials Project

Mn(NH)2H2 crystallizes in the tetragonal I4_1/acd space group. The structure is three-dimensional and consists of thirty-two hydrogen molecules and two Mn(NH)2 frameworks. In each Mn(NH)2 framework, Mn2+ is bonded in a distorted rectangular see-saw-like geometry to two N3- and two equivalent H1+ atoms. There are one shorter (2.03 Å) and one longer (2.09 Å) Mn–N bond lengths. There is one shorter (1.72 Å) and one longer (1.73 Å) Mn–H bond length. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a linear geometry to two equivalent N3- atoms. Both N–N bond lengths are 1.18 Å. In the second N3- site, N3- is bonded in a distorted water-like geometry to two equivalent Mn2+ and two equivalent H1+ atoms. Both N–H bond lengths are 1.03 Å. In the third N3- site, N3- is bonded in a bent 150 degrees geometry to one Mn2+ and one N3- atom. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a water-like geometry to two equivalent Mn2+ atoms. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Na2Mn(H2N)4 by Materials Project

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.

36 MATERIALS SCIENCE↗