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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on PbCN2 by Materials Project

PbCN2 crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two PbCN2 sheets oriented in the (0, 0, 1) direction. Pb2+ is bonded to five N3- atoms to form edge-sharing PbN5 square pyramids. There are a spread of Pb–N bond distances ranging from 2.39–2.68 Å. C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.23 Å) and one longer (1.25 Å) C–N bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a 1-coordinate geometry to three equivalent Pb2+ and one C4+ atom. In the second N3- site, N3- is bonded in a distorted single-bond geometry to two equivalent Pb2+ and one C4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PbCN2 by Materials Project

PbCN2 crystallizes in the orthorhombic Pna2_1 space group. The structure is two-dimensional and consists of two PbCN2 sheets oriented in the (0, 0, 1) direction. Pb2+ is bonded to five N3- atoms to form distorted edge-sharing PbN5 square pyramids. There are a spread of Pb–N bond distances ranging from 2.39–2.78 Å. C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.22 Å) and one longer (1.25 Å) C–N bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a 1-coordinate geometry to three equivalent Pb2+ and one C4+ atom. In the second N3- site, N3- is bonded in a distorted single-bond geometry to two equivalent Pb2+ and one C4+ atom.

36 MATERIALS SCIENCE↗