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Structural investigations on the fertilizer component K (sub 2) Ca (sub 2) Si (sub 2) O (sub 7)

Erik Arroyabe and Volker Kahlenberg
Structural investigations on the fertilizer component K (sub 2) Ca (sub 2) Si (sub 2) O (sub 7)
European Journal of Mineralogy (January 2011) 23 (1): 101-110


Polycrystalline material as well as single crystals of the fertilizer component K (sub 2) Ca (sub 2) Si (sub 2) O (sub 7) have been prepared by solid state reactions and melting experiments, respectively. The compound is hexagonal (space group P6 (sub 3) /m, a=9.8020(5) Aa, c=13.8781(5) Aa, V=1154.76(9) Aa (super 3) , D (sub calc) =2.815 g/cm (super 3) , Z=6). The crystal structure was solved by direct methods using a sample that was subject to twinning by merohedry and subsequently refined to a residual of R(F)=0.044 (551 independent observed reflections (I>2sigma (I)), 59 parameters). K (sub 2) Ca (sub 2) Si (sub 2) O (sub 7) can be classified as a sorosilicate based on disordered [Si (sub 2) O (sub 7) ]-moieties. The dimers are arranged in 5.2 Aa wide layers perpendicular to [001] centered at about z nearly equal 1/4 and z nearly equal 3/4. Charge compensation within the structure is accomplished by K (super +) - and Ca (super 2+) -cations distributed among a total of six independent sites within the asymmetric unit. Basically, two types of coordination environments of the non-tetrahedral cations can be distinguished: M(2) and M(4) are surrounded by six nearest oxygen neighbours in form of distorted octahedra. The coordination spheres around M(1), M(3) and M(5) can be approximately described as trigonal prisms. In case of M(5) the prism is capped by three additional oxygen atoms. By sharing common faces the octahedra and the prisms are linked into one-dimensional columns running parallel to [001]. The relative alignment of these non-intersecting columns corresponds to a hexagonal rod packing with parallel rods. The [Si (sub 2) O (sub 7) ]-dimers provide linkage between the columns, thus the whole structure can be considered as a mixed polyhedral framework where the two fundamental building units are connected via common corners. The remaining irregularly coordinated M(6)-atoms in turn are situated in cavities of the network. The structural relationship of the present compound with a family of rare-earth silicates with general composition A (sub 3) BSi (sub 2) O (sub 7) is discussed.

ISSN: 0935-1221
EISSN: 1617-4011
Serial Title: European Journal of Mineralogy
Serial Volume: 23
Serial Issue: 1
Title: Structural investigations on the fertilizer component K (sub 2) Ca (sub 2) Si (sub 2) O (sub 7)
Affiliation: Universitaet Innsbruck, Institut fuer Mineralogie and Petrographie, Innsbruck, Austria
Pages: 101-110
Published: 201101
Text Language: English
Publisher: Schweizerbart'sche Verlagsbuchhandlung (Naegele u. Obermiller), Stuttgart, Germany
References: 41
Accession Number: 2011-026562
Categories: Mineralogy of silicates
Document Type: Serial
Bibliographic Level: Analytic
Illustration Description: illus. incl. 7 tables
Country of Publication: Germany
Secondary Affiliation: GeoRef, Copyright 2017, American Geosciences Institute. Abstract, copyright, Schweizerbart'sche Verlagsbuchhandlung. Reference includes data from GeoScienceWorld, Alexandria, VA, United States
Update Code: 201115
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