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Crystal structure of magnesium chromium vanadate Mg2CrV3O11, a member of the A2BV3O11 vanadate family

Published online by Cambridge University Press:  01 March 2012

A. Worsztynowicz ,
S. M. Kaczmarek ,
W. Paszkowicz  and
R. Minikayev
A. Worsztynowicz
Affiliation:
Institute of Physics, Szczecin University of Technology, Al. Piastów 48, 70-310 Szczecin, Poland
S. M. Kaczmarek
Affiliation:
Institute of Physics, Szczecin University of Technology, Al. Piastów 48, 70-310 Szczecin, Poland
W. Paszkowicz
Affiliation:
Institute of Physics, P.A.S., Al. Lotnikow 32/46, 02-668 Warsaw, Poland
R. Minikayev
Affiliation:
Institute of Physics, P.A.S., Al. Lotnikow 32/46, 02-668 Warsaw, Poland
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Abstract

The crystal structure of recently discovered chromium (III) dimagnesium trivanadate (V) Mg2CrV3O11 was refined using the Rietveld method. The crystal system of Mg2CrV3O11 is triclinic with space group P1− (Mg1.7Zn0.3GaV3O11 type) and lattice parameters a=6.4057(1) Å, b=6.8111(1) Å, c=10.0640(2) Å, α=97.523(1)°, β=103.351(1)°, γ=101.750(1)°, and Z=2. The characteristic feature of compounds in the A2BV3O11 (A=Mg, Zn and B=Ga, Fe, Cr) family is a strong tendency to share the octahedral M(1) and M(2) sites by both divalent A and trivalent B atoms, and the bipyramidal M(3) sites occupied by divalent A ions. In the present refinement, the only constraint assuming full occupancy of the M(1), M(2), and M(3) sites leads to the following Cr/(Cr+Mg) ratios: 0.70(2) at M(1), 0.24(2) at M(2), and 0.03(2) at M(3). These occupancies are discussed and compared to those of isotypic compounds. The values of interatomic distances are found to be comparable with those reported by R. D. Shannon in 1976. Electron paramagnetic resonance has been also analyzed. Two absorption lines with g≈2.0 (type I) and g≈1.98 (type II) have been recorded in the EPR spectra, and attributed to V4+ ions and Cr3+–Cr3+ ion pairs, respectively. The exchange constant J between Cr3+ ions has been calculated.

Keywords

magnesiumchromiumvanadiumpowder diffractioncrystal structureRietveld refinement
Type
Technical Articles
Information
Powder Diffraction , Volume 22 , Issue 3 , September 2007 , pp. 246 - 252
Copyright
Copyright © Cambridge University Press 2007

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