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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on PbN6 by Materials Project

Pb(N3)2 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. there are three inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 8-coordinate geometry to eight N+0.33- atoms. There are a spread of Pb–N bond distances ranging from 2.60–2.97 Å. In the second Pb2+ site, Pb2+ is bonded in a 8-coordinate geometry to eight N+0.33- atoms. There are a spread of Pb–N bond distances ranging from 2.64–2.94 Å. In the third Pb2+ site, Pb2+ is bonded in a 8-coordinate geometry to eight N+0.33- atoms. There are a spread of Pb–N bond distances ranging from 2.58–2.95 Å. There are eighteen inequivalent N+0.33- sites. In the first N+0.33- site, N+0.33- is bonded in a distorted trigonal planar geometry to two equivalent Pb2+ and one N+0.33- atom. The N–N bond length is 1.19 Å. In the second N+0.33- site, N+0.33- is bonded in a distorted trigonal planar geometry to two Pb2+ and one N+0.33- atom. The N–N bond length is 1.18 Å. In the third N+0.33- site, N+0.33- is bonded in a 1-coordinate geometry to two equivalent Pb2+ and one N+0.33- atom. The N–N bond length is 1.18 Å. In the fourth N+0.33- site, N+0.33- is bonded in a distorted trigonal planar geometry to two Pb2+ and one N+0.33- atom. The N–N bond length is 1.19 Å. In the fifth N+0.33- site, N+0.33- is bonded in a linear geometry to two N+0.33- atoms. There is one shorter (1.18 Å) and one longer (1.20 Å) N–N bond length. In the sixth N+0.33- site, N+0.33- is bonded in a distorted bent 150 degrees geometry to one Pb2+ and one N+0.33- atom. The N–N bond length is 1.17 Å. In the seventh N+0.33- site, N+0.33- is bonded in a distorted trigonal planar geometry to two equivalent Pb2+ and one N+0.33- atom. In the eighth N+0.33- site, N+0.33- is bonded in a linear geometry to two N+0.33- atoms. Both N–N bond lengths are 1.19 Å. In the ninth N+0.33- site, N+0.33- is bonded in a distorted trigonal planar geometry to two Pb2+ and one N+0.33- atom. In the tenth N+0.33- site, N+0.33- is bonded in a linear geometry to two N+0.33- atoms. The N–N bond length is 1.20 Å. In the eleventh N+0.33- site, N+0.33- is bonded in a linear geometry to two N+0.33- atoms. The N–N bond length is 1.18 Å. In the twelfth N+0.33- site, N+0.33- is bonded in a 1-coordinate geometry to two equivalent Pb2+ and one N+0.33- atom. In the thirteenth N+0.33- site, N+0.33- is bonded in a distorted trigonal planar geometry to two equivalent Pb2+ and one N+0.33- atom. In the fourteenth N+0.33- site, N+0.33- is bonded in a distorted trigonal planar geometry to two Pb2+ and one N+0.33- atom. In the fifteenth N+0.33- site, N+0.33- is bonded in a 4-coordinate geometry to three Pb2+ and one N+0.33- atom. The N–N bond length is 1.20 Å. In the sixteenth N+0.33- site, N+0.33- is bonded in a linear geometry to two N+0.33- atoms. In the seventeenth N+0.33- site, N+0.33- is bonded in a linear geometry to two N+0.33- atoms. In the eighteenth N+0.33- site, N+0.33- is bonded in a distorted trigonal planar geometry to two equivalent Pb2+ and one N+0.33- atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pb3N4 by Materials Project

Pb3N4 is beta Polonium structured and crystallizes in the trigonal R3m space group. The structure is zero-dimensional and consists of three Pb3N4 clusters. Pb4+ is bonded in a 2-coordinate geometry to two equivalent N3- atoms. Both Pb–N bond lengths are 2.43 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a T-shaped geometry to two equivalent Pb4+ and one N3- atom. The N–N bond length is 1.34 Å. In the second N3- site, N3- is bonded in a trigonal planar geometry to three equivalent N3- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pb3N2 by Materials Project

Pb3N2 crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two Pb3N2 sheets oriented in the (0, 0, 1) direction. there are three inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a distorted T-shaped geometry to three equivalent N3- atoms. There are one shorter (2.35 Å) and two longer (2.43 Å) Pb–N bond lengths. In the second Pb2+ site, Pb2+ is bonded in a distorted T-shaped geometry to three equivalent N3- atoms. There are two shorter (2.33 Å) and one longer (2.35 Å) Pb–N bond lengths. In the third Pb2+ site, Pb2+ is bonded in a distorted trigonal non-coplanar geometry to three N3- atoms. There are one shorter (2.24 Å) and two longer (2.52 Å) Pb–N bond lengths. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to four Pb2+ atoms to form distorted NPb4 tetrahedra that share corners with two equivalent NPb5 square pyramids, corners with two equivalent NPb4 tetrahedra, and edges with two equivalent NPb4 tetrahedra. In the second N3- site, N3- is bonded to five Pb2+ atoms to form NPb5 square pyramids that share corners with two equivalent NPb4 tetrahedra and edges with four equivalent NPb5 square pyramids.

36 MATERIALS SCIENCE↗