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Physics Faculty Research & Creative Works

Chemistry

Crystal Structure

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Full-Text Articles in Physical Sciences and Mathematics

Structural Evolution Of Ammonia Borane For Hydrogen Storage, Jinbo Yang, Jagat Lamsal, Qingsheng Cai, William B. Yelon, William Joseph James Mar 2008

Structural Evolution Of Ammonia Borane For Hydrogen Storage, Jinbo Yang, Jagat Lamsal, Qingsheng Cai, William B. Yelon, William Joseph James

Physics Faculty Research & Creative Works

We have studied the crystal structure of fully deuterated BH3NH3 using powder neutron diffraction at different temperatures. It is evident that an order-disorder phase transition occurs around 225 K. At low temperature, the compound crystallizes in the orthorhombic structure with space group Pnm21 and gradually transforms to a high temperature tetragonal structure with space group I4 mm above 225 K. At 16 K, the BD3-ND3 unit stacks along the c axis with a tilt angle of about 16° between the N-B bond and the c axis. As the temperature is increased, the BD3-ND3 groups start to reorient along the c …


Crystal And Electronic Structures Of The Complex Hydride Li₄Bn₃H₁₀, Jinbo Yang, X. J. Wang, Qingsheng Cai, William B. Yelon, William Joseph James Aug 2007

Crystal And Electronic Structures Of The Complex Hydride Li₄Bn₃H₁₀, Jinbo Yang, X. J. Wang, Qingsheng Cai, William B. Yelon, William Joseph James

Physics Faculty Research & Creative Works

The crystal structure of Li4BN3H10 was investigated using powder neutron diffraction with high sensitivity. The compound crystallizes in the cubic space group 213 with lattice parameters a=10.645 19(52) Å with an ordered arrangement of [NH2]−1 and [BH4]−1 anions in a molar ratio of 3:1. The bond lengths between the nearest nitrogen and hydrogen atoms are 1.04(4) and 1.14(4) Å. The bond angle between H(1)-N-H(2) is about 126(6)°, while those between H(3)-B-H(3) and H(3)-B-H(4) are about 109(6)°-110(7)°. There are three different Li sites surrounded by [NH2]−1 and [BH4]−1 anions in distorted tetrahedral configurations. The Li(3)-B and Li(3)-N bond distances are about …


Electrical And Magnetotransport Properties Of Canted Antiferromagnet Dy₅Si₂Ge₂, R. Nirmala, V. Sankaranarayanan, K. Sethupathi, Zili Chu, William B. Yelon, V. Prasad, A. V. Morozkin, Satish K. Malik, S. V. Subramanyam Jan 2002

Electrical And Magnetotransport Properties Of Canted Antiferromagnet Dy₅Si₂Ge₂, R. Nirmala, V. Sankaranarayanan, K. Sethupathi, Zili Chu, William B. Yelon, V. Prasad, A. V. Morozkin, Satish K. Malik, S. V. Subramanyam

Physics Faculty Research & Creative Works

Summary form only given. Since the giant magnetocaloric effect is encountered in a ferromagnetic Gd5Si2Ge2 alloy near room temperature it is considered as a suitable material for magnetic refrigerator applications. Also a commensurate structural transition occurs at the magnetic transition temperature and there is a good correlation between the crystal structure and magnetic properties. Such observations have triggered numerous experimental studies on similar rare earth alloys and compounds. We have synthesized its Dy- analogue, namely, Dy5Si2Ge2 and have characterized it by means of room temperature X-ray diffraction, ac magnetic susceptibility (15 K - 300 K), electrical resistivity (at zero field …