Journal
JOURNAL OF MATERIALS CHEMISTRY C
Volume 1, Issue 31, Pages 4740-4745Publisher
ROYAL SOC CHEMISTRY
DOI: 10.1039/c3tc30581c
Keywords
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Funding
- Western Light of Chinese Academy of Sciences [XBBS201217]
- 973 Program of China [2012CB626803]
- National Natural Science Foundation of China [U1129301, 51172277, 21101168, 11104344]
- Main Direction Program of Knowledge Innovation of CAS [KJCX2-EW-H03-03]
- One Hundred Talents Project Foundation Program of CAS
- Funds for Creative Cross & Cooperation Teams of CAS
- Major Program of Xinjiang Uygur Autonomous Region of China [201130111]
- High Technology Research & Development Program of Xinjiang Uygur Autonomous Region of China [201116143]
- Science and Technology Project of Urumqi [G121130002]
- National Science Foundation [DMR-1005827]
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A new noncentrosymmetric alkaline earth metal halide borate, BaClBF4, has been synthesized with crystal size up to 6 mm x 6 mm x 3 mm via the hydrothermal method at 200 degrees C. The crystal structure can be described as an alternate stacking of cationic [Ba2Cl2](2+) layers with anionic [BF4](-) layers along the b direction, and the [Ba2Cl2](2+) layer is a pseudo-Aurivillius type layer similar to the [Bi2O2](2+) layer. The transmittance range of BaClBF4 is from 0.18 to 8.5 mu m, and the laser damage threshold of the crystal is about 6.8 GW cm(-2). EDS, TG-DSC and second harmonic generation investigations are reported. The electronic structure is discussed to explain the structure-property relationships.
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