NDLI: Structure comparison and optical properties of Na7Mg4.5(P2O7)4: a sodium magnesium phosphate with isolated P2O7 units

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New Journal of Chemistry Vol - 41 Issue - 8

New Journal of Chemistry Vol - 41 Issue - 7

New Journal of Chemistry Vol - 41 Issue - 6

New Journal of Chemistry Vol - 41 Issue - 5

New Journal of Chemistry Vol - 41 Issue - 4

New Journal of Chemistry Vol - 41 Issue - 3

New Journal of Chemistry Vol - 41 Issue - 2

New Journal of Chemistry Vol - 41 Issue - 1

New Journal of Chemistry Vol -39

New Journal of Chemistry Vol -29

New Journal of Chemistry Vol -0

Structure comparison and optical properties of Na₇Mg_4.5(P₂O₇)₄: a sodium magnesium phosphate with isolated P₂O₇ units

Content Provider	Royal Society of Chemistry (RSC)
Author	Yang, Yun Yang, Zhihua Sun, Yanzhou Ma, Ruru Pan, Shilie
Copyright Year	2017
Abstract	Herein, a sodium magnesium diphosphate, Na7Mg4.5(P2O7)4, was synthesized via a standard solid-state reaction method, and a single crystal X-ray diffraction method was adopted to determine its crystal structure. It was found that it crystallizes in the triclinic system with the space group P. The crystal structure of Na7Mg4.5(P2O7)4 features a parallelogram channel composed of corner/edge-sharing isolated [P2O7] dimers and a Na(2)O5 polyhedra to form a 3D framework. Thermal behaviors indicate that Na7Mg4.5(P2O7)4 congruently melts and IR spectrum shows the existence of the P2O7 groups. Moreover, Na7Mg4.5(P2O7)4 possesses an experimental band gap of 5.90 eV and an ultraviolet (UV) cut-off edge of about 210 nm, which was confirmed via diffuse reflection spectrum. To analyze the contribution of the atomic orbitals to the energy band, band structures and partial density of states (PDOS) of Na7Mg4.5(P2O7)4 have also been reported.
Starting Page	3399
Ending Page	3404
Page Count	6
File Format	HTM / HTML PDF
ISSN	11440546
Volume Number	41
Issue Number	9
Journal	New Journal of Chemistry
DOI	10.1039/c6nj03986c
Language	English
Publisher	Royal Society of Chemistry
Access Restriction	Open
Subject Keyword	X-ray crystallography Sodium Diffuse reflection Pyrophosphate Parallelogram Electronvolt Triclinic crystal system Magnesium Band gap Ultraviolet Space group Three-dimensional space
Content Type	Text
Resource Type	Article
Subject	Chemistry Materials Chemistry Catalysis

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