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Materials Data on Mn(NO5)2 by Materials Project

MnO4(NO3)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four mangan(iv)-hydroxyd molecules and eight nitric acid molecules.

36 MATERIALS SCIENCE↗

Materials Data on Mn(N3O8)2 by Materials Project

Mn(NO6)2N2(NO2)2 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of four ammonia molecules; four nitrous acid molecules; and one Mn(NO6)2 sheet oriented in the (1, 0, 0) direction. In the Mn(NO6)2 sheet, Mn2+ is bonded in a distorted octahedral geometry to six O2- atoms. There are a spread of Mn–O bond distances ranging from 1.69–2.10 Å. N5+ is bonded in a bent 120 degrees geometry to two O2- atoms. Both N–O bond lengths are 1.26 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one N5+ and one O2- atom. The O–O bond length is 2.39 Å. In the second O2- site, O2- is bonded in a single-bond geometry to one N5+ and one O2- atom. The O–O bond length is 3.02 Å. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Mn2+ and two O2- atoms. There is one shorter (1.29 Å) and one longer (2.38 Å) O–O bond length. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Mn2+ and three O2- atoms. There are one shorter (2.51 Å) and one longer (2.62 Å) O–O bond lengths. In the fifth O2- site, O2- is bonded in a single-bond geometry to one Mn2+ and one O2- atom. The O–O bond length is 3.04 Å. In the sixth O2- site, O2- is bonded in a 6-coordinate geometry to six O2- atoms.

36 MATERIALS SCIENCE↗

Materials Data on Mn4NO8 by Materials Project

Mn4NO8 is beta Vanadium nitride-derived structured and crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. Mn+4.75+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 50°. There are a spread of Mn–O bond distances ranging from 1.92–1.96 Å. N3- is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. All N–O bond lengths are 2.95 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent Mn+4.75+ and two equivalent N3- atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to three equivalent Mn+4.75+ atoms.

36 MATERIALS SCIENCE↗