A new structure type of phosphate: Crystal structure of Na{sub 2}Zn{sub 5}(PO{sub 4}){sub 4}
- Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100080 (China)
A new compound, Na{sub 2}Zn{sub 5}(PO{sub 4}){sub 4}, was identified in the system ZnO-Na{sub 2}O-P{sub 2}O{sub 5} and high-quality crystal was obtained by the melt method. The crystal structure of this compound was solved by direct method from single crystal X-ray diffraction data. The structure was then refined anisotropically using a full-matrix least square refinement on F{sup 2} and the refinement converged to R{sub 1}=0.0233 and wR{sub 2}=0.0544. This compound crystallizes in the orthorhombic system with space group Pbcn, lattice parameters a=10.381(2) A, b=8.507(1) A, c=16.568(3) A and Z=4. The structure is made up of 3D [Zn{sub 5}P{sub 4}O{sub 16}]{sub n}{sup 2n-} covalent framework consisting of [Zn{sub 4}P{sub 4}O{sub 16}]{sub n}{sup 4n-} layers. The powder diffraction pattern of Na{sub 9}Zn{sub 21}(PO{sub 4}){sub 17} is explained by simulating a theoretical pattern with NaZnPO{sub 4} and Na{sub 2}Zn{sub 5}(PO{sub 4}){sub 4} in the molar ratio of 1:4 and then by Rietveld refinement of experimental pattern. Na{sub 2}Zn{sub 5}(PO{sub 4}){sub 4} melts congruently at 855 deg. C and its conductivity is 5.63x10{sup -9} S/cm. - Graphical abstract: Crystal structure and the relevant properties of Na{sub 2}Zn{sub 5}(PO{sub 4}){sub 4}, the first zincophosphate which having 3D [Zn{sub 5}P{sub 4}O{sub 16}]{sub n}{sup 2n-} covalent framework and the lowest P/Zn atomic ratio, were reported. The powder diffraction pattern of Na{sub 9}Zn{sub 21}(PO{sub 4}){sub 17} was proved to be a mixture of Na{sub 2}Zn{sub 5}(PO{sub 4}){sub 4} and NaZnPO{sub 4} in the molar ratio of 4:1 by Rietveld refinement.
- OSTI ID:
- 21043801
- Journal Information:
- Journal of Solid State Chemistry, Journal Name: Journal of Solid State Chemistry Journal Issue: 8 Vol. 180; ISSN 0022-4596; ISSN JSSCBI
- Country of Publication:
- United States
- Language:
- English
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