Neutron diffraction analysis of barium nitroprusside trihydrate at room temperature

Journal Article · Wed Oct 31 23:00:00 EST 1990 · Journal of Solid State Chemistry; (USA)

DOI:https://doi.org/10.1016/0022-4596(90)90290-E· OSTI ID:5943577

Navaza, A ^[1]; Schweiss, P ^[2]; Alzari, P M ^[3]; Chevrier, G; Heger, G ^[4]; Guida, J A ^[5]

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1. CNRS, Chatenay-Malabry (France)
2. CNRS, Gif sur Yvette (France) Kernforschungzentrum Karlsruhe, Marburg (West Germany) Phillips Universitaet, Marburg (West Germany)
3. Institut Pasteur, paris (France)
4. CNRS, Gif sur Yvette (France)
5. UNLP, La Plata (Argentina)

The crystal structure of barium nitroprusside trihydrate, Ba(Fe(CN){sub 5}NO).3H{sub 2}O, at room temperature has been refined using neutron diffraction measurements (F(000) = 41.8, D{sub x} = 2.13 g cm{sup {minus}3}, {mu} = 0.6 cm{sup {minus}1} (evaluated), space group Pbcm (57), orthorhombic, Z = 4, a = 7.620(7), b = 19.394(17), and c = 8.631(8) {angstrom}, V = 1,276(4) {angstrom}{sup 3}). A final R factor of 0.060 was obtained using 1,349 observed structure factors. The nitroprusside ion in Ba(Fe(CN){sub 5}NO).3H{sub 2}O presents a distorted octahedral configuration similar to that found in other nitroprusside salts determined by x-ray neutron diffraction methods. Its polar axis lies in a symmetry plane, which also includes the Ba{sup 2+} 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.

• OSTI ID: 5943577
• Journal Information: Journal of Solid State Chemistry; (USA), Journal Name: Journal of Solid State Chemistry; (USA) Vol. 89:1; ISSN 0022-4596; ISSN JSSCB
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
360602* -- Other Materials-- Structure & Phase Studies
ALKALINE EARTH METAL COMPOUNDS
BARIUM COMPOUNDS
COHERENT SCATTERING
CRYSTAL LATTICES
CRYSTAL STRUCTURE
CYANIDES
DATA
DIFFRACTION
EXPERIMENTAL DATA
HYDRATES
INFORMATION
MEASURING METHODS
MEDIUM TEMPERATURE
NEUTRON DIFFRACTION
NUMERICAL DATA
ORTHORHOMBIC LATTICES
SCATTERING