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Ba–Cu ordering in bariopharmacoalumite-Q2a2b2c from Cap Garonne, France

Published online by Cambridge University Press:  05 July 2018

I. E. Grey ,
W. G. Mumme ,
J. R. Price ,
S. J. Mills ,
C. M. Macrae  and
G. Favreau
I. E. Grey*
Affiliation:
CSIRO Mineral Resources, Box 312 Clayton South, Victoria 3169, Australia
W. G. Mumme
Affiliation:
CSIRO Mineral Resources, Box 312 Clayton South, Victoria 3169, Australia
J. R. Price
Affiliation:
Australian Synchrotron. 800 Blackburn Road, Clayton, Victoria 3168, Australia
S. J. Mills
Affiliation:
Geosciences, Museum Victoria. GPO Box 666, Melbourne, Victoria 3001, Australia
C. M. Macrae
Affiliation:
CSIRO Mineral Resources, Box 312 Clayton South, Victoria 3169, Australia
G. Favreau
Affiliation:
421 Avenue Jean Monnet, 13090 Aix-en-Provence, France
*
* E-mail:[email protected]
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Abstract

Bariopharmacoalumite-Q2a2b2c, Ba0.5(Cu,ZnO)0.1H0.6[Al4(OH)4(As0.9Al0.1O4)3]·5.5H2O, from the south mine of the old copper mine at Cap Garonne, France, has a 2 × 2 × 2 I-centred tetragonal superstructure of the basic pharmacosiderite-type structure. Cell parameters are a = 15.405(2) Å and c = 15.553(3) Å. The structure was determined and refined in I 2m to R 1= 0.057 for 2697 reflections with I > 2σ(I), using synchrotron X-ray data on a twinned crystal. The origin of the superlattice cell doubling was determined to be due predominantly to the ordering of Ba atoms in half of the [0 0 1] channels, centred at (0, 0, 0) and (½, ½, 0). The other channels, centred at (½, 0, 0) and (0, ½, 0), were found to be occupied by corner-connected chains of Cu/Zn-centred square planar units.

Keywords

pharmacosideritecrystal structuresupercellsynchrotronCap GaronneFrance
Type
Research Article
Information
Mineralogical Magazine , Volume 78 , Issue 4 , August 2014 , pp. 851 - 860
Copyright
Copyright © The Mineralogical Society of Great Britain and Ireland 2014

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