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American Mineralogist; July 2000; v. 85; no. 7-8; p. 1061-1065
© 2000 Mineralogical Society of America
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Rietveld analysis of dicalcium aluminate (Ca2Al2O5)—A new high pressure phase with the Brownmillerite-type structure

Volker Kahlenberg1, Reinhard X. Fischer1 and Cliff S.J. Shaw2

1 Fachbereich Geowissenschaften (Kristallographie), Universität Bremen, Klagenfurter Strasse, D-28359 Bremen, Germany
2 Bayerisches Geoinstitut, Universität Bayreuth, D-95440 Bayreuth, Germany

Correspondence: * E-mail: vkahlen{at}zfn.uni-bremen.de

Dicalcium aluminate (Ca2Al2O5) was prepared in a piston cylinder apparatus at 1250 °C and 2.5 GPa. The compound is orthorhombic with space group symmetry/2mb, a = 5.2281(1) Å, b = 14.4686(2) Å, c = 5.4004(1) Å (Z = 4, Dcalc = 3.481 g/cm3), and belongs to the brownmillerite structure family. Main building units are (1) layers of perovskite type corner connected AlO6-octahedra perpendicular to [010], and (2) zweier single chains of AlO4-tetrahedra running parallel [100]. The alternate stacking of the layers and sheets of single chains results in a three dimensional network in which the calcium ions are incorporated for charge compensation. The present structure is the first example for an alkaline earth aluminate with zweier single chains of tetrahedra.




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Structural variations in the brownmillerite series Ca2(Fe2-xAlx)O5: Single-crystal X-ray diffraction at 25 {degrees}C and high-temperature X-ray powder diffraction (25 {degrees}C <= T <= 1000 {degrees}C)
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V. Kahlenberg, R. X. Fischer, and C. S.J. Shaw
High-pressure Ca4Al6O13: An example of a calcium aluminate with three different types of coordination polyhedra for aluminum
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