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Syntheses, structures and properties of metal phosphates Pb2Mg(PO4)2, Pb4Zn8(PO4)8 and α-BaZn2(PO4)2

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Abstract

Pb2Mg(PO4)2, Pb4Zn8(PO4)8 and α-BaZn2(PO4)2 have been synthesized by the standard solid-state reaction and their structures were determined by single crystal X-ray diffraction for the first time. Pb2Mg(PO4)2, Pb4Zn8(PO4)8 and α-BaZn2(PO4)2 crystallize in the monoclinic crystal system, P21/c, C2/c and the trigonal crystal system, P[3 with combining macron]m1, respectively. The structure of Pb2Mg(PO4)2 possesses a three-dimensional framework consisting of MgO6 octahedra and PO4 tetrahedra and the Pb2+ cations reside in the [Mg6P6O12] tunnels. Pb4Zn8(PO4)8 and α-BaZn2(PO4)2 are two-dimensional layered structures with [Zn4P4O16] layers for Pb4Zn8(PO4)8 and [Zn3P3O12] honeycomb double layers for α-BaZn2(PO4)2. And in the structure of Pb4Zn8(PO4)8, there are four different Zn–P–O layers, which is reported for the first time in zinc phosphates. In addition, thermal property analysis, and UV-Vis-NIR diffuse reflectance and infrared spectroscopy were also performed. First-principles theoretical studies were also conducted to aid the understanding of their band structures and densities of states.

Graphical abstract: Syntheses, structures and properties of metal phosphates Pb2Mg(PO4)2, Pb4Zn8(PO4)8 and α-BaZn2(PO4)2

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Publication details

The article was received on 17 Aug 2017, accepted on 18 Sep 2017 and first published on 18 Sep 2017


Article type: Paper
DOI: 10.1039/C7DT03055J
Citation: Dalton Trans., 2017, Advance Article
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    Syntheses, structures and properties of metal phosphates Pb2Mg(PO4)2, Pb4Zn8(PO4)8 and α-BaZn2(PO4)2

    X. Pan, M. Wen, G. He, H. Li and D. Jia, Dalton Trans., 2017, Advance Article , DOI: 10.1039/C7DT03055J

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