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Issue 6, 2015
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Structural and luminescence studies of the new nitridomagnesoaluminate CaMg2AlN3

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Abstract

CaMg2AlN3 was synthesized in a closed system by solid state reaction from binary nitrides. Structure refinements based on powder X-ray diffraction data suggested ambiguity about the occupancy of magnesium and aluminum tetrahedral sites. Solid-state 27Al and 25Mg NMR studies were used to adjudicate amongst possible space groups. With reference to projector augmented wave calculations of the quadrupolar coupling constants, the measured values of CQ and the numbers of crystallographically inequivalent Al and Mg sites indicate that CaMg2AlN3 crystallizes in the space group P63/mmc with partial occupancy of the distorted tetrahedral Al site and possibly also mixing of Mg2+ and Al3+ ions on opposite sites. The compound obtained by synthesis with a flux shows orange defect-related luminescence at room temperature.

Graphical abstract: Structural and luminescence studies of the new nitridomagnesoaluminate CaMg2AlN3

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Publication details

The article was received on 24 Oct 2014, accepted on 05 Dec 2014 and first published on 17 Dec 2014


Article type: Paper
DOI: 10.1039/C4DT03283G
Citation: Dalton Trans., 2015,44, 2819-2826
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    Structural and luminescence studies of the new nitridomagnesoaluminate CaMg2AlN3

    M. Kubus, K. Levin, S. Kroeker, D. Enseling, T. Jüstel and H.-J. Meyer, Dalton Trans., 2015, 44, 2819
    DOI: 10.1039/C4DT03283G

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