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Phase relation, structure, and properties of borate MgYB5O10 in MgO–Y2O3–B2O3 system

Published online by Cambridge University Press:  02 May 2017

Jing Zhang ,
Xiaoma Tao ,
Gemei Cai  and
Zhanpeng Jin
Jing Zhang
Affiliation:
School of Materials Science and Engineering, Central South University, Changsha, Hunan 410083, China Education Ministry Key Laboratory of Non-ferrous Materials Science and Engineering, Central South University, Changsha 410083, China
Xiaoma Tao
Affiliation:
College of Physical Science and Technology, Guangxi University, Nanning 530004, China
Gemei Cai*
Affiliation:
School of Materials Science and Engineering, Central South University, Changsha, Hunan 410083, China Education Ministry Key Laboratory of Non-ferrous Materials Science and Engineering, Central South University, Changsha 410083, China
Zhanpeng Jin
Affiliation:
School of Materials Science and Engineering, Central South University, Changsha, Hunan 410083, China Education Ministry Key Laboratory of Non-ferrous Materials Science and Engineering, Central South University, Changsha 410083, China
*
a)Author to whom correspondence should be addressed. Electronic mail: caigemei@csu.edu.cn
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Abstract

In the investigation of MgO–Y2O3–B2O3 system, six three-phase regions, five binary compounds, and one ternary compound MgYB5O10 were confirmed in the subsolidus phase relations. Single-phase powder sample of MgYB5O10 was successfully prepared through solution synthesis method. By using the Rietveld method from the step-scanning X-ray powder diffraction data, the crystal structure of MgYB5O10 was determined. It crystallizes in the monoclinic system with the space group P121/c1 and lattice parameters a = 8.5113(2) Å, b = 7.5892(2) Å, c = 12.2460(3) Å, β = 130.200(1)°, and Z = 4. The infrared spectrum of MgYB5O10 at room temperature demonstrates the existence of BO3 and BO4 groups. The UV–visible spectrum shows a wide absorption band within the range of 190–400 nm, while the absorption in the visible region is negligible. According to the electronic structure derived by first-principles calculations, MgYB5O10 is an insulator with a wide indirect energy band gap of about 5.95 eV. Layered structural characteristics, existence of one-dimensional YnO8n+2 chains, and the large band gap should be the immanent reason why MgYB5O10-based materials have exhibited outstanding performances in the luminescence field.

Keywords

borateMgYB5O10crystal structureelectronic structureband gap
Type
Technical Articles
Information
Powder Diffraction , Volume 32 , Issue 2 , June 2017 , pp. 97 - 106
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Copyright
Copyright © International Centre for Diffraction Data 2017 

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