Journal of Cluster Science

, Volume 28, Issue 4, pp 2157–2165 | Cite as

Na4Ca[B4O5(OH)4]3·14H2O: An Acentric Supramolecular Framework Borate Based on [B4O5(OH)4]2− Cluster Units

Original Paper


A new mixed-metal tetraborate, Na4Ca[B4O5(OH)4]3·14H2O (1), with an acentric structure has been synthesized under mild solvothermal conditions and characterized by powder X-ray diffraction, thermogravimetric analysis, IR and UV–Vis spectroscopy, nonlinear optical determination and single crystal X-ray diffraction. 1 crystallizes in hexagonal space group P-62c (No. 190) with the unit cell parameters: a = 11.2896 (6) Å, c = 15.8360 (9) Å, V = 1748.0 (2) Å3, and Z = 1. The compound features two types of layered networks, a borate network with kgm topology and a Na–O–Ca network with hcb topology, which are alternately arranged generating a 3D framework with straight channels. Powder second-harmonic-generating measurement indicates that compound 1 presents a SHG response of ~0.9 times that of KDP (KH2PO4), with the UV cut-off edge below 240 nm, making 1 a potential UV NLO material.


Borate Oxoboron cluster Acentric structure Nonliner optical property 



This work was supported by the NSFC (Nos. 21571016 and 91122028), the NSFC for Distinguished Young Scholars (No. 20725101).


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Copyright information

© Springer Science+Business Media New York 2017

Authors and Affiliations

  • Chong-An Chen
    • 1
  • Qi Wei
    • 1
  • Bai-Feng Yang
    • 1
  • Guo-Yu Yang
    • 1
  1. 1.MOE Key Laboratory of Cluster Science, School of Chemistry and Chemical EngineeringBeijing Institute of TechnologyBeijingChina

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