Equivalent planes for Laue classes \overline{3}m1 and \overline{3}1m. Correction of an error inInternational tables for X-ray crystallography

Nimmo, J. K.

doi:10.1107/s0567739480001660

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“…Similar equality within the set of (khil), for cyclic permutation of khi, was also apparent. However, comparison of intensity magnitudes between these sets left some uncertainty in the assignment of the Laue group: equality would have indicated 31m (Nimmo, 1980), while inequality would give 3. Similar examination of the 403 K absorption-corrected data determined the Laue group uniquely as 3, at this temperature.…”

Section: Discussionmentioning

confidence: 99%

Structure (neutron) of phase IV rubidium nitrate at 298 and 403 K

Shamsuzzoha¹,

Lucas²

1982

Acta Crystallogr Sect B

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The crystal structure of phase IV RbNO 3 has been determined at room temperature (298 K) and, closer to the IV --, III transition, at 403 K by three-dimensional single-crystal neutron diffractometry. The crystal system is trigonal, space group P31 (or its enantiomorph P32), with a = 10.55 (2), c = 7.47 (2)A at 298 K and a = 10.61 (1), c = 7.55 (1)A at 403 K, and Z = 9. The single-crystal neutron diffraction intensity data for 298 K were severely affected by extinction. Inclusion of anisotropic extinction correction and anisotropic temperature factors in the least-squares refinement of 1080 reflections (equivalents, not averaged) gave a converged conventional R-factor value of 0.068. The least-squares refinement for 451 independent reflections of 403 K intensity data, with isotropic extinction correction and anisotropic temperature factors, gave a converged conventional R factor value of 0.078. The structure, at both temperatures, has the Rb atoms forming a pseudocubic sublattice with nine pseudocubes per unit cell. The NO3-groups' configurations within the unit cell are derived from an asymmetric unit of three NO 3 groups..-Average N--O distances and O-lq-O angles are 1.25 (1) A and 119 (1) ° at 298 K, and 1.20 (1)A and 119 (2) ° at 403 K. Each NO 3 group is essentially parallel to one of the faces of its surrounding Rb-atom pseudocube and one of the N-O bonds is also almost parallel to a pseudocube cell edge.

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Section: Discussionmentioning

confidence: 99%