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The crystal structure of killalaite

Published online by Cambridge University Press:  05 July 2018

H. F. W. Taylor
H. F. W. Taylor*
Affiliation:
Department of Chemistry, University of Aberdeen, Meston Walk, Old Aberdeen, AB9 2UE, Scotland
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Summary

The crystal structure of killalaite has been approximately determined, using a crystal from the original locality. The ionic constitution is Ca3+x (H1–2xSi2O7) (OH), with x ≈ 0·2 for the crystal studied. Crystal data are: monoclinic pseudo cell with a 6·807, b 15·459, c 6·811 Å, β 97·76°, space group P21/m, Z = 4, Dx-ray = 2·94 gcm-3. Additional, very weak reflections indicate a B-centred monoclinic true cell with doubled a and c. The structure was determined using only the pseudo cell reflections, and includes one fractionally occupied Ca site; the larger true cell possibly arises from ordering of Ca atoms in these sites, together with associated small shifts of other atoms. There are weak indications that the degree of occupancy of this site may be variable. The X-ray powder pattern has been indexed and a calculated pattern is also given. A synthetic compound called ‘Phase F’ by Aitken and Taylor (1960) appears identical with or closely similar to killalaite.

Type
Research Article
Information
Mineralogical Magazine , Volume 41 , Issue 319 , September 1977 , pp. 363 - 369
Copyright
Copyright © The Mineralogical Society of Great Britain and Ireland 1977

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References

Aitken, (A.) and Taylor, (H. F. W.), 1960. J. Appl. Chem. 10, 7–15.CrossRefGoogle Scholar
Donnay, (G.) and Altaian, (R.), 1970. Am. Mineral. 55, 1003-15.Google Scholar
Nawaz, (R.), 1974. Mineral. Mag. 39, 544–8.CrossRefGoogle Scholar