Structure analysis of a Mn-doped willemite-type compound, H{sub 0.12}(Zn{sub 1.89(3)}Mn{sub 0.05(1)}□{sub 0.06})Si{sub 1.00(1)}O{sub 4}
- Section Crystallography, Department for Earth and Environmental Sciences, Ludwig-Maximilians-Universität München, Munich (Germany)
Large single crystals of a well-known green phosphor, Mn-doped willemite (α-Zn{sub 2}SiO{sub 4})-type compound were grown from molten MnF{sub 2}/Li{sub 2}MoO{sub 4}. In this structure Mn{sup 2+} and defects partially replace Zn{sup 2+} 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 (□), this structure may have protons for ensuring its electrostatic neutrality. Although the position of H{sup +} could not be clearly found the present study indicates the presence of protons in the vicinity of oxygens to make relative short H⋯O bonds below 1.6 Å. Two unusual, broad IR bands about 1780 and 2360 cm{sup −1} can be explained by disordering of strongly bonded O···H groups. This compound represents a structural unit, H{sub 0.12}(Zn{sub 1.89(3)}Mn{sub 0.05(1)}□{sub 0.06})Si{sub 1.00(1)}O{sub 4}, based on X-ray single crystal diffraction, electron microprobe, and FT-IR spectroscopy. - Graphical abstract: A willemite-type compound, H{sub 0.12}(Zn{sub 1.89(3)}Mn{sub 0.05(1)}□{sub 0.06})Si{sub 1.00(1)}O{sub 4} exhibits protons near to oxygens in the skirt of four- and six-membered ring channels, as a result of defects at two crystallographically different Zn sites. Display Omitted - Highlights: • Structure properties of a 0.05 Mn-doped α-Zn{sub 2}SiO{sub 4} compound using X-ray single crystal diffraction. • Static disorder of Zn, Mn, and defects in the framework of α-Zn{sub 2}SiO{sub 4}. • Sign of strong H⋯O bonds, observed in FT-IR spectroscopy.
- OSTI ID:
- 22274207
- Journal Information:
- Journal of Solid State Chemistry, Vol. 210, Issue 1; Other Information: Copyright (c) 2013 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.; Country of input: International Atomic Energy Agency (IAEA); ISSN 0022-4596
- Country of Publication:
- United States
- Language:
- English
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