A new structure type of phosphate: Crystal structure of Na2Zn5(PO4)4

L. N. Ji; H. W. Ma; J. B. Li; J. K. Liang; B. J. Sun; Y. H. Liu; J. Y. Zhang; G. H. Rao

doi:10.1016/j.jssc.2007.05.027

A new structure type of phosphate: Crystal structure of Na₂Zn₅(PO₄)₄

L. N. Ji, H. W. Ma^*, J. B. Li, J. K. Liang, B. J. Sun, Y. H. Liu, J. Y. Zhang, G. H. Rao

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

18 Citations (Scopus)

Abstract

A new compound, Na₂Zn₅(PO₄)₄, was identified in the system ZnO{single bond}Na₂O{single bond}P₂O₅ 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 F² and the refinement converged to R₁=0.0233 and wR₂=0.0544. This compound crystallizes in the orthorhombic system with space group Pbcn, lattice parameters a=10.381(2) Å, b=8.507(1) Å, c=16.568(3) Å and Z=4. The structure is made up of 3D [Zn₅P₄O₁₆]_n^2n- covalent framework consisting of [Zn₄P₄O₁₆]_n^4n- layers. The powder diffraction pattern of Na₉Zn₂₁(PO₄)₁₇ is explained by simulating a theoretical pattern with NaZnPO₄ and Na₂Zn₅(PO₄)₄ in the molar ratio of 1:4 and then by Rietveld refinement of experimental pattern. Na₂Zn₅(PO₄)₄ melts congruently at 855 °C and its conductivity is 5.63×10^-9 S/cm.

Original language	English
Pages (from-to)	2256-2261
Number of pages	6
Journal	Journal of Solid State Chemistry
Volume	180
Issue number	8
DOIs	https://doi.org/10.1016/j.jssc.2007.05.027
Publication status	Published - Aug 2007
Externally published	Yes

Keywords

NaZn(PO)
Single-crystal diffraction
Structure determination
X-ray powder diffraction

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10.1016/j.jssc.2007.05.027

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title = "A new structure type of phosphate: Crystal structure of Na2Zn5(PO4)4",

abstract = "A new compound, Na2Zn5(PO4)4, was identified in the system ZnO{single bond}Na2O{single bond}P2O5 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 F2 and the refinement converged to R1=0.0233 and wR2=0.0544. This compound crystallizes in the orthorhombic system with space group Pbcn, lattice parameters a=10.381(2) {\AA}, b=8.507(1) {\AA}, c=16.568(3) {\AA} and Z=4. The structure is made up of 3D [Zn5P4O16]n2n- covalent framework consisting of [Zn4P4O16]n4n- layers. The powder diffraction pattern of Na9Zn21(PO4)17 is explained by simulating a theoretical pattern with NaZnPO4 and Na2Zn5(PO4)4 in the molar ratio of 1:4 and then by Rietveld refinement of experimental pattern. Na2Zn5(PO4)4 melts congruently at 855 °C and its conductivity is 5.63×10-9 S/cm.",

keywords = "NaZn(PO), Single-crystal diffraction, Structure determination, X-ray powder diffraction",

author = "Ji, {L. N.} and Ma, {H. W.} and Li, {J. B.} and Liang, {J. K.} and Sun, {B. J.} and Liu, {Y. H.} and Zhang, {J. Y.} and Rao, {G. H.}",

year = "2007",

month = aug,

doi = "10.1016/j.jssc.2007.05.027",

language = "English",

volume = "180",

pages = "2256--2261",

journal = "Journal of Solid State Chemistry",

issn = "0022-4596",

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TY - JOUR

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T2 - Crystal structure of Na2Zn5(PO4)4

AU - Ji, L. N.

AU - Ma, H. W.

AU - Li, J. B.

AU - Liang, J. K.

AU - Sun, B. J.

AU - Liu, Y. H.

AU - Zhang, J. Y.

AU - Rao, G. H.

PY - 2007/8

Y1 - 2007/8

N2 - A new compound, Na2Zn5(PO4)4, was identified in the system ZnO{single bond}Na2O{single bond}P2O5 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 F2 and the refinement converged to R1=0.0233 and wR2=0.0544. This compound crystallizes in the orthorhombic system with space group Pbcn, lattice parameters a=10.381(2) Å, b=8.507(1) Å, c=16.568(3) Å and Z=4. The structure is made up of 3D [Zn5P4O16]n2n- covalent framework consisting of [Zn4P4O16]n4n- layers. The powder diffraction pattern of Na9Zn21(PO4)17 is explained by simulating a theoretical pattern with NaZnPO4 and Na2Zn5(PO4)4 in the molar ratio of 1:4 and then by Rietveld refinement of experimental pattern. Na2Zn5(PO4)4 melts congruently at 855 °C and its conductivity is 5.63×10-9 S/cm.

AB - A new compound, Na2Zn5(PO4)4, was identified in the system ZnO{single bond}Na2O{single bond}P2O5 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 F2 and the refinement converged to R1=0.0233 and wR2=0.0544. This compound crystallizes in the orthorhombic system with space group Pbcn, lattice parameters a=10.381(2) Å, b=8.507(1) Å, c=16.568(3) Å and Z=4. The structure is made up of 3D [Zn5P4O16]n2n- covalent framework consisting of [Zn4P4O16]n4n- layers. The powder diffraction pattern of Na9Zn21(PO4)17 is explained by simulating a theoretical pattern with NaZnPO4 and Na2Zn5(PO4)4 in the molar ratio of 1:4 and then by Rietveld refinement of experimental pattern. Na2Zn5(PO4)4 melts congruently at 855 °C and its conductivity is 5.63×10-9 S/cm.

KW - NaZn(PO)

KW - Single-crystal diffraction

KW - Structure determination

KW - X-ray powder diffraction

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JO - Journal of Solid State Chemistry

JF - Journal of Solid State Chemistry

IS - 8

ER -

A new structure type of phosphate: Crystal structure of Na₂Zn₅(PO₄)₄

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Keywords

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