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Synthesis and crystal structure of a novel hexaborate, Na2ZnB6O11

Published online by Cambridge University Press:  29 February 2012

Y. Q. Chen ,
J. K. Liang ,
Y. X. Gu ,
J. Luo ,
J. B. Li  and
G. H. Rao
Y. Q. Chen
Affiliation:
Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190, China
J. K. Liang*
Affiliation:
Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190, China International Center for Materials Physics, Academic Sinica, Shenyang 110016, China
Y. X. Gu
Affiliation:
Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190, China
J. Luo
Affiliation:
Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190, China
J. B. Li
Affiliation:
Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190, China
G. H. Rao
Affiliation:
Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190, China
*
a)Author to whom correspondence should be addressed. Electronic mail: [email protected]
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Abstract

A novel hexaborate, Na2ZnB6O11, has been successfully synthesized by solid-state reaction and ab initio crystal-structure analysis has been completed using powder X-ray diffraction data. The compound crystallizes in the monoclinic space group Cc with lattice parameters a=10.7329(2) Å b=7.4080(3) Å, c=11.4822(2) Å, and β=112.16(2)°. The number of chemical formula per unit cell is Z=4 and the calculated density is 2.768(3) g/cm3. It represents a new structure type in which double-bridge-ring [B6O11]4− groups were found as fundamental building units. The infrared spectrum confirms the presence of both [BO3]3− groups and [BO4]5− groups.

Keywords

Na2ZnB6O11crystal structurepowder diffractionhexaboratesynthesis
Type
Technical Articles
Information
Powder Diffraction , Volume 25 , Issue 1 , March 2010 , pp. 9 - 14
Copyright
Copyright © Cambridge University Press 2010

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References

Boultif, A. and Louër, D. (2004). “Powder pattern indexing with the dichotomy method,” J. Appl. Crystallogr. JACGAR 37, 724–731 .10.1107/S0021889804014876CrossRefGoogle Scholar
Brown, I. D. and Altermatt, D. (1985). “Bond-valence parameters obtained from a systematic analysis of the inorganic crystal structure database,” Acta Crystallogr., Sect. B: Struct. Sci. ASBSDK 41, 244–247 .10.1107/S0108768185002063CrossRefGoogle Scholar
Chen, X., Li, M., Chang, X., Zang, H., and Xiao, W. (2007). “Synthesis and crystal structure of a novel pentaborate, Na3ZnB5O10,” J. Solid State Chem. JSSCBI 180, 1658–1663 .10.1016/j.jssc.2007.03.014CrossRefGoogle Scholar
Clark, J. R. and Christ, C. L. (1957). “The crystal structure of 2CaO-3B2O3-9H2O,” Acta Crystallogr. ABCRE6 10, 776–777.Google Scholar
Klaus, Y., Wolfgang, J., and Erwin, P. (1977). “LAZY PULVERIX, a computer program, for calculating X-ray and neutron diffraction powder patterns,” J. Appl. Crystallogr. JACGAR 10, 73–74 .10.1107/S0021889877012898Google Scholar
Le Bail, A., Duroy, H., and Fourquet, J. L. (1988). “Ab-initio structure determination of LiSbWO6 by X-ray powder diffraction,” Mater. Res. Bull. MRBUAC 23, 447–452 .10.1016/0025-5408(88)90019-0CrossRefGoogle Scholar
Look, D. C. (2001). “Recent advances in ZnO materials and devices,” Mater. Sci. Eng., B MSBTEK 80, 383–387 .10.1016/S0921-5107(00)00604-8CrossRefGoogle Scholar
Norton, D. P., Heo, Y. W., Lvill, M. P., Ip, K., Pearton, S. J., Chisholm, M. F., and Steiner, T. (2004). “ZnO: Growth, doping & processing,” Mater. Today MTOUAN 7, 34–40 .10.1016/S1369-7021(04)00287-1CrossRefGoogle Scholar
O’Keefe, M. and Brese, N. E. (1991). “Atom sizes and bond lengths in molecules and crystals,” J. Am. Chem. Soc. JACSAT 113, 3226–3229 .10.1021/ja00009a002CrossRefGoogle Scholar
Rietveld, H. M. (1967). “Line profiles of neutron powder-diffraction peaks for structure refinement,” Acta Crystallogr. ABCRE6 22, 151–152 .10.1107/S0365110X67000234CrossRefGoogle Scholar
Rietveld, H. M. (1969). “A profile refinement method for neutron and magnetic structures,” J. Appl. Crystallogr. JACGAR 2, 65–71 .10.1107/S0021889869006558CrossRefGoogle Scholar
Rodriguez-Carvajal, J., Fernadez-Diaz, M. T., and Martinez, J. L. (1991). “Neutron diffraction study on structural and magnetic properties of La2NiO4,” J. Phys.: Condens. Matter JCOMEL 3, 3215–3234 .10.1088/0953-8984/3/19/002Google Scholar
Rumanova, I. M. and Ashirov, A. (1963). “The determination of the crystal structure of inderite,” Kristallografiya KRISAJ 8, 517–532.Google Scholar
Sheldrick, G. M. (1997). SHELXS97 and SHELXL97, Program for the Refinement of Crystal Structure (Computer Software) (Georg-August University of Göttingen, Göttingen, Germany).Google Scholar
Spek, A. L. (2003). “Single-crystal structure validation with the program PLATON,” J. Appl. Crystallogr. JACGAR 36, 7–13 .10.1107/S0021889802022112CrossRefGoogle Scholar
Yuan, G. and Xue, D. (2007). “Crystal chemistry of borates: The classification and algebraic description by topological type of fundamental building blocks,” Acta Crystallogr., Sect. B: Struct. Sci. ASBSDK 63, 353–362 .10.1107/S0108768107015583CrossRefGoogle ScholarPubMed