Syntheses, crystal structures, and characterizations of LiM(PO3)4 (M = Y, Dy)

Dan Zhao; Hao Zhang; Shu Ping Huang; Ming Fang; Wei Long Zhang; Song Ling Yang; Wen Dan Cheng

doi:10.1016/j.molstruc.2008.04.042

Syntheses, crystal structures, and characterizations of LiM(PO₃)₄ (M = Y, Dy)

Dan Zhao, Hao Zhang, Shu Ping Huang, Ming Fang, Wei Long Zhang, Song Ling Yang, Wen Dan Cheng

Chemistry (Twin Cities)

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

14 Scopus citations

Abstract

Two tertiary rare earth polyphosphates, namely, LiM(PO₃)₄ (M = Y, Dy), have been synthesized by the solid-state reaction and structurally established by single-crystal X-ray diffraction (XRD). The two compounds crystallize in monoclinic space group C2/c and Z = 4. They are isostructural and the structures feature interconnected Y-Li straight chains and [PO₄]^3- wavy chains. Additionally, the calculations of band structure, density of states of LiY(PO₃)₄ were performed with the density functional theoretical (DFT) method and the optical properties of LiDy(PO₃)₄ were investigated in terms of emission spectra.

Original language	English (US)
Pages (from-to)	8-12
Number of pages	5
Journal	Journal of Molecular Structure
Volume	892
Issue number	1-3
DOIs	https://doi.org/10.1016/j.molstruc.2008.04.042
State	Published - Dec 15 2008

Keywords

Crystal growth
Crystal structure and symmetry
Luminescence
X-ray diffraction

Publisher link

10.1016/j.molstruc.2008.04.042

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title = "Syntheses, crystal structures, and characterizations of LiM(PO3)4 (M = Y, Dy)",

abstract = "Two tertiary rare earth polyphosphates, namely, LiM(PO3)4 (M = Y, Dy), have been synthesized by the solid-state reaction and structurally established by single-crystal X-ray diffraction (XRD). The two compounds crystallize in monoclinic space group C2/c and Z = 4. They are isostructural and the structures feature interconnected Y-Li straight chains and [PO4]3- wavy chains. Additionally, the calculations of band structure, density of states of LiY(PO3)4 were performed with the density functional theoretical (DFT) method and the optical properties of LiDy(PO3)4 were investigated in terms of emission spectra.",

keywords = "Crystal growth, Crystal structure and symmetry, Luminescence, X-ray diffraction",

author = "Dan Zhao and Hao Zhang and Huang, {Shu Ping} and Ming Fang and Zhang, {Wei Long} and Yang, {Song Ling} and Cheng, {Wen Dan}",

year = "2008",

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language = "English (US)",

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TY - JOUR

T1 - Syntheses, crystal structures, and characterizations of LiM(PO3)4 (M = Y, Dy)

AU - Zhao, Dan

AU - Zhang, Hao

AU - Huang, Shu Ping

AU - Fang, Ming

AU - Zhang, Wei Long

AU - Yang, Song Ling

AU - Cheng, Wen Dan

PY - 2008/12/15

Y1 - 2008/12/15

N2 - Two tertiary rare earth polyphosphates, namely, LiM(PO3)4 (M = Y, Dy), have been synthesized by the solid-state reaction and structurally established by single-crystal X-ray diffraction (XRD). The two compounds crystallize in monoclinic space group C2/c and Z = 4. They are isostructural and the structures feature interconnected Y-Li straight chains and [PO4]3- wavy chains. Additionally, the calculations of band structure, density of states of LiY(PO3)4 were performed with the density functional theoretical (DFT) method and the optical properties of LiDy(PO3)4 were investigated in terms of emission spectra.

AB - Two tertiary rare earth polyphosphates, namely, LiM(PO3)4 (M = Y, Dy), have been synthesized by the solid-state reaction and structurally established by single-crystal X-ray diffraction (XRD). The two compounds crystallize in monoclinic space group C2/c and Z = 4. They are isostructural and the structures feature interconnected Y-Li straight chains and [PO4]3- wavy chains. Additionally, the calculations of band structure, density of states of LiY(PO3)4 were performed with the density functional theoretical (DFT) method and the optical properties of LiDy(PO3)4 were investigated in terms of emission spectra.

KW - Crystal growth

KW - Crystal structure and symmetry

KW - Luminescence

KW - X-ray diffraction

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