Hostname: page-component-cd9895bd7-lnqnp Total loading time: 0 Render date: 2024-12-23T14:39:07.076Z Has data issue: false hasContentIssue false
  • English
  • Français

Crystal structures of carbonates Cs2Sr2(CO3)3 and Rb2Sr2(CO3)3 from powder data

Published online by Cambridge University Press:  06 March 2012

S. F. Jin ,
M. Li ,
J. G. Guo ,
W. Y. Wang ,
Y. P. Xu  and
X. L. Chen
S. F. Jin
Affiliation:
Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190, People’s Republic of China
M. Li
Affiliation:
Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190, People’s Republic of China
J. G. Guo
Affiliation:
Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190, People’s Republic of China
W. Y. Wang
Affiliation:
Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190, People’s Republic of China
Y. P. Xu
Affiliation:
Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190, People’s Republic of China
X. L. Chen*
Affiliation:
Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190, People’s Republic of China
*
a)Author to whom correspondence should be addressed. Electronic mail: [email protected]
Get access Rights & Permissions [Opens in a new window]

Abstract

Two carbonates Cs2Sr2(CO3)3 and Rb2Sr2(CO3)3 were synthesized by solid-state reaction at high temperatures, and their crystal structures were determined from X-ray powder diffraction data. Because of the presence of heavy atoms and heavy peak overlapping, proper restrains on light-atom groups were found essential to obtain satisfactory results. The title compounds are isostructural to an early reported compound Cs2Ba2(CO3)3 and crystallize in cubic space group I213, with unit-cell dimensions a=10.072 64(2) Å for the cesium phase and a=9.855 56(7) Å for the rubidium phase. Unlike most carbonates, the title compounds feature in mutually perpendicular CO3 atomic groups. Our results also indicate that the global instability index is a more sensitive parameter in evaluating the structure rationality over the agreement factors. Moreover, differential thermal analysis and thermogravimetric analysis measurements reveal that Cs2Sr2(CO3)3 and Rb2Sr2(CO3)3 are stable in air up to 796 and 880 °C, respectively.

Keywords

carbonateX-ray diffractionRietveld refinementthermal behavior
Type
Technical Articles
Information
Powder Diffraction , Volume 25 , Supplement S1 , September 2010 , pp. S2 - S6
Copyright
Copyright © Cambridge University Press 2010

Access options

Get access to the full version of this content by using one of the access options below. (Log in options will check for institutional or personal access. Content may require purchase if you do not have access.)

References

Boultif, A. and Louër, D. (1991). “Indexing of powder diffraction patterns for low-symmetry lattices by the successive dichotomy method,” J. Appl. Crystallogr.JACGAR 24, 987–993.10.1107/S0021889891006441CrossRefGoogle Scholar
Brown, I. D. (1978). “Bond valences—A simple structural model for inorganic chemistry,” Chem. Soc. Rev.CSRVBR 7, 359–376.10.1039/cs9780700359CrossRefGoogle Scholar
Chen, X. L., He, M., Xu, Y. P., Li, H. Q., and Tu, Q. Y. (2004). “KCa(CO3)F from X-ray powder data,” Acta Crystallogr., Sect. E: Struct. Rep. OnlineACSEBH 60, i50–i51.10.1107/S1600536804005069CrossRefGoogle Scholar
Dickens, B., Hyman, A., and Brown, W. E. (1971). “Crystal structure of Ca2Na2(CO3)3,” J. Res. Natl. Bur. Stand., Sect. AJNBAAR 75, 129–135.CrossRefGoogle Scholar
Dollase, W. A. and Reesder, R. J. (1986). “Crystal structure refinement of huntite, CaMg3(CO3)4, with X-ray powder data,” Am. Mineral.AMMIAY 71, 163–166.Google Scholar
Grey, I. E., Cranswick, L. M. D., and Li, C. (1998). “Accurate site occupancies for light atoms from powder X-ray data,” J. Appl. Crystallogr.JACGAR 31, 692–699.10.1107/S0021889898003690CrossRefGoogle Scholar
Hagen, S. and Jansen, M. Z. (1993). “Crystal structure determination and vibrational spectroscopy on Cs2Ba2(CO3)3,” Z. Anorg. Allg. Chem.ZAACAB 619, 461–465.10.1002/zaac.19936190306CrossRefGoogle Scholar
Perchiazzi, N. (2006). “Crystal structure determination and Rietveld refinement of rosasite and mcguinnessite,” Z. Kristallogr.ZEKRDZ 23, 505–510.CrossRefGoogle Scholar
Rietveld, H. M. (1967). “Line profiles of neutron powder-diffraction peaks for structure refinement,” Acta Crystallogr.ACSEBH 22, 151–152.10.1107/S0365110X67000234CrossRefGoogle Scholar
Rietveld, H. M. (1969). “A profile refinement method for nuclear and magnetic structures,” J. Appl. Crystallogr.JACGAR 2, 65–71.10.1107/S0021889869006558CrossRefGoogle Scholar
Rodríguez-Carvajal, J. (2003). FULLPROF: A program for Rietveld refinement and pattern matching analysis, Version 2.45 (computer software), Laboratories Léon Brillouin, CEA-CNRS, Saclay, France.Google Scholar
Sadeghi, N. and Christmann, M. (1978). “Mixed carbonates of alkaline-metals and stronti,” C. R. Seances Acad. Sci., Ser. CCHDCAQ 286, 189–192.Google Scholar
Salinas-Sanchez, A., Garcia-Munoz, J. L., Rodriguez-Carvajal, J., Saez-Puche, R., and Martinez, J. L. (1992). “Structural characterization of R 2BaCuO5 (R=Y, Lu, Yb, Tm, Er, Ho, Dy, Gd, Eu and Sm) oxides by X-ray and neutron diffraction,” J. Solid State Chem.JSSCBI 100, 201–211.10.1016/0022-4596(92)90094-CCrossRefGoogle Scholar
Sun, Y. P., Huang, Q. Z., Wu, L., He, M., and Chen, X. L. (2006). “A neutron powder investigation of the structure of KCaCO3F at various temperatures,” J. Alloys Compd.JALCEU 417, 13–17.10.1016/j.jallcom.2005.09.019CrossRefGoogle Scholar
Troyanov, S. I., Zakharov, M. A., Reehuis, M., and Kemnitz, E. (2002). “Neutron diffraction study of sodium hydrogen selenate Na3H5(SeO4)4. Comparison with the X-ray diffraction data,” Crystallogr. Rep.CYSTE3 47, 29–32.10.1134/1.1446905CrossRefGoogle Scholar
Winbo, C., Boström, D., and Göbbels, M. (1997). “Crystal Structure of the double carbonate K2Ca2(CO3)3,” Acta Chem. Scand.ACHSE7 51, 387–391.10.3891/acta.chem.scand.51-0387CrossRefGoogle Scholar