Structure analysis of a Mn-doped willemite-type compound, H_0.12(Zn_1.89(3)Mn_0.05(1)鈻?sub>0.06)Si_1.00(1)O₄

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• 作者：David Behal ; Benedikt R枚ska ; Ulf Gattermann ; Alex ; er Reul ; So-Hyun Park
• 关键词：Zn2SiO4 ; Willemite ; Defects ; Mn-doping ; Structure
• 刊名：Journal of Solid State Chemistry
• 出版年：February, 2014
• 年：2014
• 卷：210
• 期：1
• 页码：144-149
• 全文大小：1999 K

文摘

Large single crystals of a well-known green phosphor, Mn-doped willemite (伪-Zn₂SiO₄)-type compound were grown from molten MnF₂/Li₂MoO₄. In this structure Mn²⁺ and defects partially replace Zn²⁺ at two independent sites, and there are no cation species in the middle of six-membered ring channels. As a consequence of 3% defective sites (鈻?, this structure may have protons for ensuring its electrostatic neutrality. Although the position of H⁺ could not be clearly found the present study indicates the presence of protons in the vicinity of oxygens to make relative short H鈰疧 bonds below 1.6 脜. Two unusual, broad IR bands about 1780 and 2360 cm^鈭? can be explained by disordering of strongly bonded O路路路H groups. This compound represents a structural unit, H_0.12(Zn_1.89(3)Mn_0.05(1)鈻?sub>0.06)Si_1.00(1)O₄, based on X-ray single crystal diffraction, electron microprobe, and FT-IR spectroscopy.