Acta Crystallographica Section B

Structural Science

Volume 65, Part 6 (December 2009)

research papers

Acta Cryst. (2009). B65, 659-663 [ doi:10.1107/S0108768109041019 ]

Growth and single-crystal refinement of phase-III potassium nitrate, KNO₃

E. J. Freney, L. A. J. Garvie, T. L. Groy and P. R. Buseck

Abstract: Oriented single crystals of the high-temperature phase of KNO₃ (phase III), a ferroelectric compound that may also occur as an atmospheric aerosol particle, were grown at room temperature and pressure by atomizing a solution of KNO₃ in water and allowing droplets to dry on a glass substrate. The crystals are up to 1 mm across and are stable unless mechanically disturbed. There is no evidence of the spontaneous transformation of phase III to the room-temperature stable phase (phase II), even after several months. Single-crystal structure determinations of phase III were obtained at 295 and 123 K. The unit cell regained its room-temperature dimensions after warming from 123 K. The phase-III KNO₃ structure can be viewed as the stacking parallel to the c axis of alternating K atoms and planar NO₃ groups. The NO₃ groups connect the planes of K atoms, where each O is fourfold coordinated to one N and three K. Each K atom has nine O nearest neighbors, with three bonds at 2.813 and six at 2.9092 Å. The interatomic K-N-K distance alternates from 5.051 to 3.941 along the c axis. The N-O distances increase from 1.245 (2) Å at 295 K to 1.2533 (15) Å at 123 K. The nitrate group has a slight non-planarity, with the N atoms 0.011 Å above the O plane and directed toward the more distant K of the K-N-K chain.

Keywords: aerosol particles; explosives; propellants; polymorphism.


	Structure factor file (CIF format) (8.7 kbytes) [ doi:10.1107/S0108768109041019/bp5023123Ksup2.fcf ] Contains datablock 123K

	Structure factor file (CIF format) (5.9 kbytes) [ doi:10.1107/S0108768109041019/bp5023rtsup3.fcf ] Contains datablock rt

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