Superstructure of a phosphor material Ba{sub 3}MgSi{sub 2}O{sub 8} determined by neutron diffraction data
Journal Article
·
· Journal of Solid State Chemistry
- LG Chem Research Park, Daejeon 305-380 (Korea, Republic of)
- Department of Chemistry, 153 Gilbert Hall, Oregon State University, Corvallis, OR 97331-4003 (United States)
Ba{sub 3}MgSi{sub 2}O{sub 8}, a phosphor host examined for use in white-light devices and plant-growth lamps, was synthesized at 1225 deg. C in air. Its crystal structure has been determined and refined by a combined powder X-ray and neutron Rietveld method (P3-bar, Z=3, a=9.72411(3) A, c=7.27647(3) A, V=595.870(5) A{sup 3}; R{sub p}/R{sub wp}=3.79%/5.03%, {chi}{sup 2}=4.20). Superstructure reflections, observed only in the neutron diffraction data, provided the means to establish the true unit cell and a chemically reasonable structure. The structure contains three crystallographically distinct Ba atoms-Ba1 resides in a distorted octahedral site with S{sub 6} (3-bar) symmetry, Ba2 in a nine-coordinate site with C{sub 3} (3) symmetry, and Ba3 in a ten-coordinate site with C{sub 1} (1) symmetry. The Mg atoms occupy distorted octahedral sites, and the Si atom occupies a distorted tetrahedral site. - Graphical Abstract: Crystal structure of Ba{sub 3}MgSi{sub 2}O{sub 8} viewed along the c direction. Superstructure reflections, observed only in the neutron diffraction data, provided the means to establish the true unit cell and a chemically reasonable structure.
- OSTI ID:
- 21212220
- Journal Information:
- Journal of Solid State Chemistry, Journal Name: Journal of Solid State Chemistry Journal Issue: 3 Vol. 182; ISSN 0022-4596; ISSN JSSCBI
- Country of Publication:
- United States
- Language:
- English
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