Hostname: page-component-77c89778f8-rkxrd Total loading time: 0 Render date: 2024-07-24T03:27:29.025Z Has data issue: false hasContentIssue false
  • English
  • Français

Normal Coordinate Analysis of Benitoite (BaTiSi3O9) and its Constituent Ring

Published online by Cambridge University Press:  01 January 1992

Charles C. Kim ,
M. I. Bell  and
D. A. McKeown
Charles C. Kim
Affiliation:
Naval Research Laboratory, Dynamics of Solids Branch, Washington, D.C. 20375-5320
M. I. Bell
Affiliation:
Naval Research Laboratory, Dynamics of Solids Branch, Washington, D.C. 20375-5320
D. A. McKeown
Affiliation:
Chemistry Dept., Howard University, Washington, D.C. 20059
Get access

Abstract

The normal modes of vibration and their frequencies are calculated for benitoite, a mineral whose crystal structure (space group D23h) consists of three-membered silicate rings (Si3O9) linked by Ba+2 and Ti+4 ions. The calculation unambiguously assigns the normal modes to the lines in the Raman and infrared spectra and determines the atomic interactions. On the assumption that mode mixings and splittings due to inter-ring interactions are small, the normal frequencies of the isolated ring of C3h, symmetry are determined. The identification of normal modes characteristic of three-membered silicate rings may prove to be a valuable guide in the interpretation of the infrared and Raman spectra of amorphous silicates, potentially leading to new information on the ring statistics of these materials.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 291: Symposium O – Materials Theory and Modeling , 1992 , 515
Copyright
Copyright © Materials Research Society 1993

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

REFERENCES

1. Sharma, S. K., Mammone, J. F., and Nicol, M. F., Nature 292, 140 (1981).Google Scholar
2. McKeown, D. A., Galeener, F. L., and Brown, G. E. Jr., J. Non- Crystalline Solids 68, 361 (1984).Google Scholar
3. Sharma, S. K., Philpotts, J. A., and Matson, D. W., J. Non-Cryst. Solids 85, 403 (1985).Google Scholar
4. Lazarev, A. N., Vibrational Spectra and Structure of Silicates (Consultants Bureau, New York, 1972).Google Scholar
5. McMillan, P. F. and Hofmeister, A. M., Reviews in Mineralogy 18, 141 (1988).Google Scholar
6. Fischer, K., Z. Kristallogr. 129, 222 (1969).Google Scholar
7. Adams, D. M. and Gardner, I. R., Dalton, J. C. S., 316 (1976).Google Scholar
8. Davydov, A. S., Theory of Molecular Excitons (New York, McGraw Hill, 1962).Google Scholar
9. McKeown, D. A., Bell, M. I., and Kim, C. C., to be submitted.Google Scholar
10. Galeener, F. L., Barrio, R. A., Martinez, E., and Elliott, R. J., Phys. Rev. Lett. 53, 2429 (1984).Google Scholar