CHEN Jia-Ze;ZHUANG Rong-Chuan;MI Jin-Xiao;HUANG Ya-Xi;Fujian Key Laboratory of Advanced Materials (Xiamen University),Department of Materials Science and Engineering,College of Materials,Xiamen University;State Key Laboratory of Comprehensive Utilization of Low-grade Refractory Gold Ores;
Fujian Key Laboratory of Advanced Materials (Xiamen University),Department of Materials Science and Engineering,College of Materials,Xiamen University;State Key Laboratory of Comprehensive Utilization of Low-grade Refractory Gold Ores;
Two isostructural tellurite phosphates Ni~I_2M~(Ⅱ)Te~(Ⅳ)_2O_2(PO_4)_2(OH)_4 (M~I=Ni,Zn) have been synthesized via hydrothermal method.Both of them crystalize in monoclinic space group C2/m (No.12).For Ni_2ZnTe~(Ⅳ)_2O_2(PO_4)_2(OH)_4,a=19.3247(10),b=5.9697(3),c=4.7737(2)?,β=103.637(5)°,V=535.18(5)?~3,Z=2,M_r=727.94,S=1.103,D_c=4.517 g·cm~(-3),μ(Mo Kα)=11.434 mm~(–1) and F(000)=672,the final R=0.0369and wR=0.1086 for 639 observed reflections with I>2σ(I).The crystal structure of Ni_2M~(Ⅱ)Te~(Ⅳ)_2O_2(PO_4)_2(OH)_4(M~(Ⅱ)=Ni,Zn) features a 3D framework composed of[Ni~+_2O_2(PO_4)_2]~(6-)layers interconnected by[MTe_2O_2(OH)_4]~2single chains.Different magnetic susceptibility results at low temperature of the two title compounds confirm that Zn(1) completely occupies the Ni(2) position but not partially substitutes both Ni(1) and Ni(2) position atoms.Additionally,the acentric TeO _3(OH)_2 tetragonal pyramids are aligned in an antiparallel manner,resulting in the crystallization of centrosymmetric (C2/m) crystal structure instead of the non-centrosymmetric crystal structure.The investigation of the origin of centrosymmetric crystal structure with strong dipole moment units provides deeper understanding for future rational design for non-centrosymmetric crystal structure.
tellurite;;phosphate;;crystal structure;;stereo-chemically active lone pair;;centrosymmetric
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