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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on MnH8(N2Cl)2 by Materials Project

MnH8(N2Cl)2 crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of two MnH8(N2Cl)2 clusters. Mn2+ is bonded in an octahedral geometry to four equivalent N2- and two equivalent Cl1- atoms. All Mn–N bond lengths are 2.30 Å. Both Mn–Cl bond lengths are 2.57 Å. N2- is bonded in a distorted water-like geometry to one Mn2+ and two H1+ atoms. Both N–H bond lengths are 1.03 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N2- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N2- atom. Cl1- is bonded in a single-bond geometry to one Mn2+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MnH6(NCl)2 by Materials Project

MnH6(NCl)2 crystallizes in the monoclinic C2 space group. The structure is one-dimensional and consists of two MnH6(NCl)2 ribbons oriented in the (0, 0, 1) direction. Mn2+ is bonded to two equivalent N3- and four Cl1- atoms to form edge-sharing MnN2Cl4 octahedra. Both Mn–N bond lengths are 2.21 Å. There are two shorter (2.61 Å) and two longer (2.62 Å) Mn–Cl bond lengths. N3- is bonded in a distorted trigonal non-coplanar geometry to one Mn2+ and three H1+ atoms. There is one shorter (1.02 Å) and two longer (1.03 Å) N–H bond length. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in an L-shaped geometry to two equivalent Mn2+ atoms. In the second Cl1- site, Cl1- is bonded in an L-shaped geometry to two equivalent Mn2+ atoms.

36 MATERIALS SCIENCE↗