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Please use this identifier to cite or link to this item: http://apo.ansto.gov.au/dspace/handle/10238/5468

Title: X-ray and neutron diffraction studies of flux and hydrothermally grown nonlinear optical material KBe2BO3F2
Authors: Sang, YH
Yu, DH
Avdeev, M
Piltz, R
Sharma, N
Ye, N
Liu, H
Wang, JY
Keywords: CRYSTALS
NEUTRON DIFFRACTION
NEUTRONS
X-RAY DIFFRACTION
HYDROGEN
BONDING
Issue Date: 1-Jan-2012
Publisher: ROYAL SOCIETY OF CHEMISTRY
Citation: Sang, Y. H, Yu, D. H., Avdeev, M., Piltz, R., Sharma, N., Ye, N., Liu, H., & Wang, J. Y. (2012). X-ray and neutron diffraction studies of flux and hydrothermally grown nonlinear optical material KBe2BO3F2. Crystengcomm, 14(18), 6079-6084.
Abstract: Deep-UV nonlinear optical material KBe2BO3F2 (KBBF), fabricated by flux and hydrothermal methods, are studied by single crystal and powder X-ray diffraction (XRD) and neutron diffraction (NPD). Based on the single crystal diffraction data, the standard R32 structure is confirmed for flux grown KBBF, while the R $(3) over bar $c structure is identified for the hydrothermally grown KBBF. No clear evidence of hydrogen bonding is found in the crystals by single crystal neutron diffraction. From powder XRD and neutron diffraction, the hydrothermally grown KBBF under investigation is found to be a mixture of two components consisting of 19.8 wt% of the R32 structure and 80.2 wt% of the R $(3) over bar $c structure. No phase changes as a function of temperature up to 775 degrees C are observed for both samples from temperature dependent powder XRD data. However, a large anisotropic thermal expansion of the lattice is shown in the temperature dependent data. © 2012, Royal Society of Chemistry.
URI: http://dx.doi.org/10.1039/c2ce25828e
http://apo.ansto.gov.au/dspace/handle/10238/5468
ISSN: 1466-8033
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