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On the Al/Fe substitution in iron doped monocalcium aluminate; the crystal structure of CaAl (sub 1.8) Fe (sub 0.2) O (sub 4)

Volker Kahlenberg
On the Al/Fe substitution in iron doped monocalcium aluminate; the crystal structure of CaAl (sub 1.8) Fe (sub 0.2) O (sub 4)
European Journal of Mineralogy (April 2001) 13 (2): 403-410

Abstract

A calcium ferro-aluminate with composition CaAl (sub 1.8) Fe (sub 0.2) O (sub 4) has been synthesized. The crystal structure of the phase was studied by X-ray single crystal diffraction and refined to an R1-index value of 0.033, for 1287 observed independent reflections, collected with graphite monochromatized MoKalpha -radiation. The compound crystallizes in the monoclinic space group P12 (sub 1) /n1 with Z = 12. Cell parameters were a = 8.758(1) Aa, b = 8.112(1) Aa, c = 15.311(1) Aa, beta = 90.21(1) degrees . The crystal structure is characterized by layers of six-membered tetrahedral rings of ditrigonal shape showing two different ring conformations of up (U) and down (D) pointing vertices: UUDUDD and UDUDUD, respectively. The stacking of layers comprises a three-dimensional framework containing channels that are occupied by the calcium cations. The structure is isotypic with CaAl (sub 2) O (sub 4) , the major compound of calcium aluminate cements.


ISSN: 0935-1221
EISSN: 1617-4011
Serial Title: European Journal of Mineralogy
Serial Volume: 13
Serial Issue: 2
Title: On the Al/Fe substitution in iron doped monocalcium aluminate; the crystal structure of CaAl (sub 1.8) Fe (sub 0.2) O (sub 4)
Author(s): Kahlenberg, Volker
Affiliation: Universitaet Bremen, FB Geowissenschaften (Kristallographie), Bremen, Federal Republic of Germany
Pages: 403-410
Published: 200104
Text Language: English
Publisher: Schweizerbart'sche Verlagsbuchhandlung (Naegele u. Obermiller), Stuttgart, Federal Republic of Germany
References: 19
Accession Number: 2001-049321
Categories: Mineralogy of non-silicates
Document Type: Serial
Bibliographic Level: Analytic
Illustration Description: illus. incl. 5 tables
Country of Publication: Germany
Secondary Affiliation: GeoRef, Copyright 2017, American Geosciences Institute.
Update Code: 200115
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