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The structure of charoite, (K,Sr,Ba,Mn)15–16(Ca,Na)32[(Si70(O,OH)180)](OH,F)4.0.nH2O, solved by conventional and automated electron diffraction

Published online by Cambridge University Press:  05 July 2018

I. Rozhdestvenskaya ,
E. Mugnaioli ,
M. Czank ,
W. Depmeier ,
U. Kolb ,
A. Reinholdt  and
T. Weirich
I. Rozhdestvenskaya*
Affiliation:
Department of Crystallography, Geological Faculty, Saint Petersburg State University, University emb. 7/9, St. Petersburg, 199034, Russia Department of Crystallography, Institute of Geowissenschaften, Christian-Albrechts-University, Olshausenstrasse 40, D-24098, Kiel, Germany
E. Mugnaioli
Affiliation:
Institute of Physical Chemistry, Johannes Gutenberg-University, Welderweg 11, D-55099, Mainz, Germany
M. Czank
Affiliation:
Department of Crystallography, Institute of Geowissenschaften, Christian-Albrechts-University, Olshausenstrasse 40, D-24098, Kiel, Germany
W. Depmeier
Affiliation:
Department of Crystallography, Institute of Geowissenschaften, Christian-Albrechts-University, Olshausenstrasse 40, D-24098, Kiel, Germany
U. Kolb
Affiliation:
Institute of Physical Chemistry, Johannes Gutenberg-University, Welderweg 11, D-55099, Mainz, Germany
A. Reinholdt
Affiliation:
Rheinisch-Westfaelische Technische Hochschule, Central Facility for Electron Microscopy, Aachen University, Ahornstrasse 55, D-52074, Aachen, Germany
T. Weirich
Affiliation:
Rheinisch-Westfaelische Technische Hochschule, Central Facility for Electron Microscopy, Aachen University, Ahornstrasse 55, D-52074, Aachen, Germany
*
*E-mail: [email protected]
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Abstract

Charoite, ideally (K,Sr,Ba,Mn)15–16(Ca,Na)32[(Si70(O,OH)180)](OH,F)4.0·nH2O, a rare mineral from the Murun massif in Yakutiya, Russia, was studied using high-resolution transmission electron microscopy, selected-area electron diffraction, X-ray spectroscopy, precession electron diffraction and the newly developed technique of automated electron-diffraction tomography. The structure of charoite (a = 31.96(6) Å, b = 19.64(4) Å, c = 7.09(1) Å, β = 90.0(1)°, V = 4450(24) Å3, space group P21/m) was solved ab initio by direct methods from 2878 unique observed reflections and refined to R1/wR2 = 0.17/0.21. The structure can be visualized as being composed of three different dreier silicate chains: a double dreier chain, [Si6O17]10–; a tubular loop-branched dreier triple chain, [Si12O30]12–; and a tubular hybrid dreier quadruple chain, [Si17O43]18–. The silicate chains occur between ribbons of edge-sharing Ca and Na-octahedra. The chains of tetrahedra and the ribbons of octahedra extend parallel to the z axis. K+, Ba2+, Sr2+, Mn2+ and H2O molecules lie inside tubes and channels of the structure. On the basis of microprobe analyses and occupancy refinement of the cation sites, the crystal chemical formula of this charoite can be written as (Z = 1): (K13.88Sr1.0Ba0.32Mn0.36)Σ15.56(Ca25.64Na6.36)Σ32 [(Si6O11(O,OH)6)2(Si12O18(O,OH)12)2(Si17O25(O,OH)18)2](OH,F)4.0·3.18H2O.

Keywords

charoitecrystal structure analysisprecession electron diffraction (PED)automated electron diffraction tomography (ADT)
Type
Research Article
Information
Mineralogical Magazine , Volume 74 , Issue 1 , February 2010 , pp. 159 - 177
Copyright
Copyright © The Mineralogical Society of Great Britain and Ireland 2010

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Anisotropic displacement factors

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Structure factor data

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