A structural analysis of lead hydroxyvanadinite

Physical Chemistry Chemical Physics : PCCP
Jean Guillaume EonDonald E Ellis

Abstract

Hydroxyvanadinite, Pb(10)(VO(4))(6)(OH)(2), was prepared by the co-precipitation method and analyzed by X-ray absorption spectroscopy (XANES, EXAFS), infrared spectroscopy, Raman scattering and X-ray diffraction (XRD). The results showed that the structure is very similar to that of vanadinite, Pb(10)(VO(4))(6)Cl(2), with space group P6(3)/m (176) and cell parameters a = 10.2242(3) A and c = 7.4537(2) A. A Rietveld refinement of the structure was performed using vanadinite as the starting model and fixing the geometry of the vanadate ion as a rigid body. First-principles Density Functional embedded cluster models are developed to analyze electronic structures, bonding, and densities of states. Interaction of Pb with the OH channel anion is examined in detail, as an important structural feature. A periodic band structure approach was used to obtain a further estimate of relaxed atomic coordinates.

References

Oct 15, 1996·Physical Review. B, Condensed Matter·G Kresse, J Furthmüller
Oct 15, 1991·Physical Review. B, Condensed Matter·J Terra, D Guenzburger
Jan 1, 1993·Physical Review. B, Condensed Matter·G Kresse, J Hafner
Oct 31, 2000·Biomaterials·K J BurgJ F Kellam
Apr 9, 2002·Clinical Orthopaedics and Related Research·Racquel Zapanta LeGeros
May 10, 2002·Environmental Science & Technology·Elena MavropoulosMarcelo Saldanha
May 10, 2002·Environmental Science & Technology·Nilce C C da RochaGustavo T Moure
Jan 30, 2003·Acta Crystallographica. Section B, Structural Science·T J White, Dong ZhiLi
Dec 12, 1964·Nature·M I KAYA S POSNER
Jul 21, 2004·Environmental Pollution·Xinde CaoChip S Appel
Feb 17, 2006·Physical Chemistry Chemical Physics : PCCP·D E EllisJean-Guillaume Eon

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Citations

Sep 3, 2014·Environmental Microbiology·Andrea CeciGeoffrey Michael Gadd
Aug 20, 2009·Dalton Transactions : an International Journal of Inorganic Chemistry·Tom BaikieT J White
Mar 26, 2009·Journal of the American Chemical Society·Hélène PizzalaMark E Smith

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