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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on As(NO2)2 by Materials Project

AsNO3NO crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four nitroxyl molecules and two AsNO3 clusters. In each AsNO3 cluster, As5+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There are a spread of As–O bond distances ranging from 1.64–2.44 Å. N+1.50+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.25 Å) and one longer (1.31 Å) N–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one As5+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one As5+ and one N+1.50+ atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one As5+ and one N+1.50+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AsNO4 by Materials Project

AsNO4 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional and consists of two AsNO4 frameworks. As5+ is bonded in a 12-coordinate geometry to four equivalent O2- atoms. All As–O bond lengths are 2.27 Å. N3+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All N–O bond lengths are 1.39 Å. O2- is bonded in a 2-coordinate geometry to one As5+ and one N3+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on As(NO2)2 by Materials Project

AsNO3NO crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four nitroxyl molecules and four AsNO3 clusters. In each AsNO3 cluster, As5+ is bonded in a water-like geometry to two O2- atoms. There is one shorter (1.64 Å) and one longer (1.97 Å) As–O bond length. N+1.50+ is bonded in a water-like geometry to two O2- atoms. There is one shorter (1.21 Å) and one longer (1.39 Å) N–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one As5+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one N+1.50+ atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one As5+ and one N+1.50+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AsNO4 by Materials Project

AsNO4 crystallizes in the tetragonal I-42d space group. The structure is one-dimensional and consists of four AsNO4 ribbons oriented in the (0, 0, 1) direction. As5+ is bonded to four equivalent O2- atoms to form distorted AsO4 tetrahedra that share edges with two equivalent NO4 tetrahedra. All As–O bond lengths are 1.75 Å. N3+ is bonded to four equivalent O2- atoms to form distorted NO4 tetrahedra that share edges with two equivalent AsO4 tetrahedra. All N–O bond lengths are 1.78 Å. O2- is bonded in a distorted L-shaped geometry to one As5+ and one N3+ atom.

36 MATERIALS SCIENCE↗