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High-pressure Ca4Al6O13: An example of a calcium aluminate with three different types of coordination polyhedra for aluminum
-
Volker Kahlenberg
,
Reinhard X. Fischer
Published/Copyright:
March 25, 2015
Abstract
The crystal structure of tetracalcium trialuminate (Ca4Al6O13), synthesized at 1250 °C and 2.5 GPa, has been determined from single-crystal X-ray data by direct methods [space group Pcan, Z = 8, a = 5.3002(2) Å, b = 17.7610(5), c = 21.0887(9) Å] and refined to R1 = 6.42%. The unit cell parameters of Ca4Al6O13 exhibit a relationship to those of perovskite: a ≈ √2 aPv, b ≈ 5 aPv. and c ≈ 4√2 aPv.. The diffraction data showed the typical features of a pseudotranslational symmetry: all reflections (hkl) with l equal 4n (n is an integer) had significantly higher intensity than the reflections with l ≠ 4n. Furthermore, diffuse streaks parallel to b* were observed. The new compound exhibits Al3+ in three different kinds of coordination polyhedra: octahedra, tetrahedra, and trigonal bipyramids. One of the two main building units is slightly corrugated sheets of perovskite-type corner sharing AlO6 octahedra perpendicular to [010]. The octahedral sheets are connected by layers containing tetrahedral zweier single chains. Within these layers the tetrahedral chains are linked by two different kinds of rods containing distorted trigonal bipyramids sharing common corners and edges, respectively. The tetrahedral chains and the bipyramidal rods are parallel to [100]. Charge compensation is achieved by the Ca ions, which are coordinated by 9 or 10 oxygen cations.
Received: 2000-1-12
Accepted: 2000-6-3
Published Online: 2015-3-25
Published in Print: 2000-10-1
© 2015 by Walter de Gruyter Berlin/Boston
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Articles in the same Issue
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- Viscosities of granitic (sensu lato) melts: Influence of the anorthite component
- Geochemistry of pyroxene inclusions from the Warrumbungle Volcano, New South Wales, Australia
- Supersilicic clinopyroxene and silica exsolution in UHPM eclogite and pelitic gneiss from the Kokchetav massif, Kazakhstan
- Experimental study of intracrystalline Fe2+-Mg exchange in three augite crystals: Effect of composition on geothermometric calibration
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- Re-equilibration of glass and CO2 inclusions in xenolith olivine: A TEM study
- Origin and structural character of haüyness in spinel dunite xenoliths from La Palma, Canary Islands
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- Mineralogy and magnetic behavior of pyrrhotite from a 260 °C section at the KTB drilling site, Germany
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