Crystal structure of RbBaVO4 and high-pressure modification of KCaVO4 / Tarakina N. V.,Tyutyunnik A. P.,Dyachkova T. V.,Surat L. L.,Slobodin B. V.,Zubkov V. G. // POWDER DIFFRACTION. - 2013. - V. 28, l. 2. - P. S65-S74.

ISSN/EISSN:

0885-7156 / 1945-7413

Type:

Article; Proceedings Paper

Abstract:

The crystal structures of KCaVO4 and RbBaVO4, synthesized at high-pressure/high-temperature and by a conventional solid-state reaction, respectively, were determined using X-ray powder diffraction data. These compounds were found to have the beta-K2SO4 structure type (space group Pnma, Z = 4) with parameters a = 7.2628(5) angstrom, b = 5.7258(4) angstrom, c = 9.6854(7) angstrom (KCaVO4), and a = 7.8887(1) angstrom, b = 5.9589(1) angstrom, c = 10.3958(2) angstrom (RbBaVO4). The unit cell volume of KCaVO4, 402.77(5) angstrom(3), is significantly lower than for the low-temperature modification reported previously, 436.2 angstrom(3). The difference can be explained by a pressure-induced phase transition to a more dense state resulting from the rotation of tetrahedra and the exchange of oxygen atoms from the first and second coordination spheres for potassium and calcium atoms.

Author keywords:

orthovanadates; X-ray powder diffraction; crystal structure LUMINESCENT PROPERTIES; PYROVANADATES; COMBUSTION; VANADATES; BRONZES; CS; RB

DOI:

10.1017/S0885715613001140

Web of Science ID:

ISI:000327314000008

Соавторы в МНС:

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Другие поля

Поле	Значение
Month	SEP
Note	13th European Powder Diffraction Conference (EPDIC), Grenoble, FRANCE, OCT 28-31, 2012
Publisher	J C P D S-INT CENTRE DIFFRACTION DATA
Address	12 CAMPUS BLVD, NEWTOWN SQ, PA 19073-3273 USA
Language	English
EISSN	1945-7413
Keywords-Plus	LUMINESCENT PROPERTIES; PYROVANADATES; COMBUSTION; VANADATES; BRONZES; CS; RB
Research-Areas	Materials Science
Web-of-Science-Categories	Materials Science, Characterization \& Testing
Author-Email	nadezda.tarakina@physik.uni-wuerzburg.de
ResearcherID-Numbers	Tyutyunnik, Alexander/P-2230-2015 Tarakina, Nadezda/A-7870-2013
ORCID-Numbers	Tarakina, Nadezda/0000-0002-2365-861X
Funding-Acknowledgement	Bavarian Ministry of Sciences, Research and the Arts
Funding-Text	N.V.T. acknowledges funding by the Bavarian Ministry of Sciences, Research and the Arts. The authors acknowledge the access to the user facility for X-ray structure analysis at the Institute of Solid State Chemistry, UB RAS (Ekaterinburg, Russia).
Number-of-Cited-References	25
Usage-Count-Since-2013	8
Journal-ISO	Powder Diffr.
Doc-Delivery-Number	256ME