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Single-Crystal X-Ray Diffraction Study of β Nitrogen

William E. StreibDepartment of Chemistry, Harvard University, Cambridge 38, MassachusettsTruman H. JordanDepartment of Chemistry, Harvard University, Cambridge 38, MassachusettsWilliam N. LipscombDepartment of Chemistry, Harvard University, Cambridge 38, Massachusetts
1962en
ABI

Abstract

Three-dimensional x-ray diffraction data have been collected from single crystals of nitrogen at 50°K. The observed general condition, l=2n for hh2h̄l reflections is in agreement with the previously assigned space group, P63/mmc, and there are two molecules in the unit cell. The data agree equally well with two nearly physically indistinguishable models, in each of which the molecular centers form a hexagonal closest packed (hcp) lattice. In one, the molecule is precessing about the z axis passing through its center, at an angle of 54.5±2.5° between z and the N–N bond, while in the other the nitrogen atoms are statistically distributed among the 24-fold positions with the molecular axis again at an angle of 54.5° relative to z.

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