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Refinement of the Crystal Structure of Cronstedtite-2H2

Published online by Cambridge University Press:  01 January 2024

Jiří Hybler ,
Václav Petříček ,
Jan Fábry  and
Slavomil Ďurovič
Jiří Hybler*
Affiliation:
Institute of Physics, Academy of Sciences of the Czech Republic, Na Slovance 2, CZ-18221 Praha 8, Czech Republic
Václav Petříček
Affiliation:
Institute of Physics, Academy of Sciences of the Czech Republic, Na Slovance 2, CZ-18221 Praha 8, Czech Republic
Jan Fábry
Affiliation:
Institute of Physics, Academy of Sciences of the Czech Republic, Na Slovance 2, CZ-18221 Praha 8, Czech Republic
Slavomil Ďurovič
Affiliation:
Institute of Inorganic Chemistry, Slovak Academy of Sciences, SK-84236 Bratislava, Slovakia
*
*E-mail address of corresponding author: [email protected]
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Abstract

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The crystal structure of cronstedtite-2H2 was refined in a hexagonal cell, space group P63, Z = 2, using two acicular crystals from Wheal Maudlin, Cornwall, England, and from Pribram, Czech Republic. The Wheal Maudlin sample has the chemical composition (Fe2.2912+Fe0.7093+)(Si1.298Fe0.7073+Al0.004)O5(OH)4 and the Příbram sample has the composition (Fe2.2692+Fe0.7313+)(Si1.271Fe0.7243+Al0.005)O5(OH)4. The results of refinements are as follows: a = 5.500(1), c = 14.163(2) Å, V = 371.08(8) Å3, R = 3.83%, from 381 independent reflections, and a = 5.4927(1), c = 14.1481(2) Å, V = 369.70(4) Å3, R = 4.77%, from 1088 independent reflections for the Wheal Maudlin and Příbram samples, respectively. The best Fovs.Fc agreement was achieved when the structure was interpreted as merohedral twin; several possible twinning laws are discussed. The cronstedtite layer consists of one tetrahedral sheet and one octahedral sheet. There is one octahedral (M1) position, occupied by Fe only, and two tetrahedral (T1, T2) positions in the structure. Refinement of occupancy of tetrahedral sites led to values Si:Fe = 0.45:0.55(1) (Wheal Maudlin) and 0.432:0.568(8) (Příbram) in T1, and Si: Fe = 0.99:0.01(1) (Wheal Maudlin) and 0.888:0.112(7) (Příbram) in 72. Whereas the size of T1 is reasonable (average dT1-O = 1.693 Å (Wheal Maudlin), 1.691 Å (Příbram)), T2 is unusually large: (dT2-O= 1.740 Å (Wheal Maudlin), 1.737 Å (Příbram)) with respect to the small or almost zero Fe content. As an explanation, an alternative structure model comprising a certain amount of vacancies in T2 is presented. The tetrahedral rotation angle α is highly positive (+12.1° and +12.5° for the Wheal Maudlin and Příbram samples, respectively), and the layer belongs to the Franzini type A. Distortion parameters of octahedra and tetrahedra are given for both samples. One hydrogen atom engaged in the hydrogen bond was located in the Wheal Maudlin sample.

Keywords

CronstedtiteLayer SilicateOrder-Disorder (OD)PolytypismTwinningX-ray Diffraction
Type
Research Article
Information
Clays and Clay Minerals , Volume 50 , Issue 5 , October 2002 , pp. 601 - 613
Copyright
Copyright © 2002, The Clay Minerals Society

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