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Journal Articles Journal of Solid State Chemistry Year : 1990

Neutron diffraction analysis of barium nitroprusside trihydrate at room temperature

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Abstract

The crystal structure of barium nitroprusside trihydrate, Ba[Fe(CN)5NO].3H2O, at room temperature has been refined using neutron diffraction measurements (F(000) = 41.8, Dx = 2.13 g cm−3, μ = 0.6 cm−1 (evaluated), space group Pbcm (57), orthorhombic, Z = 4, a = 7.620(7), b = 19.394(17), and c = 8.631(8) Å, V = 1276(4) Å3). A final R factor of 0.060 was obtained using 1349 observed structure factors. The nitroprusside ion in Ba[Fe(CN)5NO].3H2O presents a distorted octahedral configuration similar to that found in other nitroprusside salts determined by X-ray and neutron diffraction methods. Its polar axis lies in a symmetry plane, which also includes the Ba2+ and the oxygen of one of the water molecules. A positional disorder of the other two water molecules is observed. Two structural phase transitions were found at 130(3) and 112(4) K; they were analyzed from the evolution of selected reflections as a function of temperature in the range between 295 and 77 K.

Dates and versions

pasteur-03136473 , version 1 (09-02-2021)

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Cite

A. Navaza, P. Schweiss, P.M. Alzari, G. Chevrier, G. Heger, et al.. Neutron diffraction analysis of barium nitroprusside trihydrate at room temperature. Journal of Solid State Chemistry, 1990, 89 (1), pp.23-30. ⟨10.1016/0022-4596(90)90290-E⟩. ⟨pasteur-03136473⟩
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