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Citation: Jia-Ze CHEN, Rong-Chuan ZHUANG, Jin-Xiao MI, Ya-Xi HUANG. Ni2MⅡTe2ⅣO2(PO4)2(OH)4 (MⅡ = Ni, Zn): Synthesis, Crystal Structure, and Magnetic Properties[J]. Chinese Journal of Structural Chemistry, ;2021, 40(11): 1439-1448. doi: 10.14102/j.cnki.0254–5861.2011–3194 shu

Ni2MⅡTe2ⅣO2(PO4)2(OH)4 (MⅡ = Ni, Zn): Synthesis, Crystal Structure, and Magnetic Properties

  • a.

    Fujian Key Laboratory of Advanced Materials (Xiamen University), Department of Materials Science and Engineering, College of Materials, Xiamen University, Xiamen 361005, China

  • b.

    State Key Laboratory of Comprehensive Utilization of Low-grade Refractory Gold Ores, Shanghang 364200, China

  • Corresponding author: Ya-Xi HUANG, yaxihuang@xmu.edu.cn
  • Received Date: 26 March 2021
    Accepted Date: 7 June 2021

    Fund Project: the National Natural Science Foundation of China 21201144the Natural Science Foundation of Fujian Province 2018J07006

Figures(9)

  • Two isostructural tellurite phosphates Ni2MⅡTe2ⅣO2(PO4)2(OH)4 (MⅡ = Ni, Zn) have been synthesized via hydrothermal method. Both of them crystalize in monoclinic space group C2/m (No. 12). For Ni2ZnTe2ⅣO2(PO4)2(OH)4, a = 19.3247(10), b = 5.9697(3), c = 4.7737(2) Å, β = 103.637(5)°, V = 535.18(5) Å3, Z = 2, Mr = 727.94, S = 1.103, Dc = 4.517 g·cm−3, μ(MoKα) = 11.434 mm–1 and F(000) = 672, the final R = 0.0369 and wR = 0.1086 for 639 observed reflections with I > 2σ(I). The crystal structure of Ni2MⅡTe2ⅣO2(PO4)2(OH)4 (MⅡ = Ni, Zn) features a 3D framework composed of [Ni2O2(PO4)2]6− layers interconnected by [MTe2O2(OH)4]2+ single 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 TeO3(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.
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