4.7 Article

Structural insights for the design of new borate-phosphates: synthesis, crystal structure and optical properties of Pb4O(BO3)(PO4) and Bi4O3(BO3)(PO4)

Journal

DALTON TRANSACTIONS
Volume 43, Issue 34, Pages 12886-12893

Publisher

ROYAL SOC CHEMISTRY
DOI: 10.1039/c4dt01199f

Keywords

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Funding

  1. Western Light Talent Training Program of CAS [RCPY201001]
  2. 973 Program of China [2012CB626803]
  3. National Natural Science Foundation of China [51302307, U1129301, 51172277, 21101168, 11104344]
  4. Main Direction Program of Knowledge Innovation of CAS [KJCX2-EW-H03-03]
  5. Funds for Creative Cross & Cooperation Teams of CAS
  6. Major Program of Xinjiang Uygur Autonomous Region of China during the 12th Five-Year Plan Period [201130111]
  7. High Technology Research & Development Program of Xinjiang Uygur Autonomous Region of China [201116143]
  8. Science and Technology Project of Urumqi [G121130002]
  9. Western Light of Chinese Academy of Sciences [XBBS201217, XBBS201220]

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Two new metal borate-phosphates, Pb4O(BO3)(PO4) (1) and Bi4O3(BO3)(PO4) (2), have been successfully designed and synthesized. The structures of the title compounds were determined by single-crystal X-ray diffraction. The title compounds have similar crystal structures consisting of oxygen-centered (OPb4) or (OBi4) tetrahedra as well as isolated BO3 and PO4 groups. Structural comparison and the Madelung energy calculation indicate that the title compounds also exhibit a strong correlation with the known metal borates and phosphates. In addition, a strategy of BO3-PO4 substitution is proposed for designing new borate-phosphates. Thermal analyses, IR spectroscopy and UV-vis-NIR diffuse reflectance spectroscopy have also been performed.

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