Citation: LI Hong-Rui, GAO Shao-Kang, ZHUANG Nai-Feng, WU Shu-Ting. Synthesis and Crystal Structure of a Novel Borophosphate Compound with Noncentrosymmetric:Cd₃BPO₇[J]. Chinese Journal of Structural Chemistry, ;2014, 33(2): 209-215. shu

Synthesis and Crystal Structure of a Novel Borophosphate Compound with Noncentrosymmetric:Cd₃BPO₇

1.
College of Chemistry and Chemical Engineering, Fuzhou University, Fuzhou 350108, China

Corresponding author: GAO Shao-Kang,
Received Date: 13 July 2013
Available Online: 27 November 2013

A new borophosphate compound Cd₃BPO₇ (M_r=490.98) has been successfully synthesized by conventional high temperature solid state reaction for the first time and its structure was determined by single-crystal X-ray diffraction. It crystallizes in orthorhombic, space group Pna2₁, with a=13.247(3), b=8.8217(18), c=5.0792(10) Å, V=593.56(20) Å³, Z=4, D_c=5.494 g/cm³, λ(CuKα)=1.5406 Å, F(000)=880, the final R=0.0212 and wR=0.0513 for 1287 observed reflections (I>2σ(I)). In the crystal structure of Cd₃BPO₇, the Cd(Ⅱ) forms a slightly distorted octahedral geometry, BO₃^3- and PO₄^3- ions linking adjacent Cd(Ⅱ) ions to form a 3D net work. The second harmonic generation (SHG) on powder samples was measured using Kurtz and Perry technique. The result indicates that Cd₃BPO₇ exhibits a SHG response 2.2 times larger than that of potassium dihydrogen phosphate (KDP) and is phase-matchable.
- borophosphate,
- crystal structure,
- noncentrosymmetric,
- second harmonic generation,
- Cd₃BPO₇
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