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<p>A new silver lead pentaborate, AgPb[B<sub>5</sub>O<sub>9</sub>] (<b>1</b>), was synthesized by solid-state reaction. The new compound crystallizes in the monoclinic system, space group <i>P</i>2<sub>1</sub>/<i>c</i>, <i>a</i> = 6.5781(2) Å; <i>b</i> = 12.8609(3) Å, <i>c</i> = 8.6512(2) Å, <i>β</i> = 104.953(2)°. <b>1</b> is the first silver-containing representative of the <i>A</i><sup>+</sup><i>B</i><sup>2+</sup>[B<sub>5</sub>O<sub>9</sub>] layered pentaborate family (<i>A</i> = Na, K, Ag; <i>B</i> = Ca, Sr, Ba, Pb). Its crystal structure is comprised of borate polyanion layers parallel to (010) with the topology 5:∞2[(5:3Δ + 2T)] which in turn are composed of corner-sharing pentaborate B<sub>5</sub>O<sub>11</sub> groups, 5B : 3Δ2□:&lt;2Δ□&gt;–&lt;Δ2□&gt;, formed by two BO<sub>4</sub> tetrahedra and three BO<sub>3</sub> triangles. <b>1</b> is characterized by differential scanning calorimetry, single-crystal and high-temperature powder X-ray diffraction, infrared spectroscopy, and density functional theory calculations. Its thermal expansion of anisotropic (<i>α</i><sub>11</sub> = 5.8, <i>α</i><sub>22</sub> = 29.1, <i>α</i><sub>33</sub> = 11.3 × 10<sup>− 6</sup> °C<sup>−1</sup>), due to the layered nature of the crystal structure. According to DFT calculations, AgPb[B<sub>5</sub>O<sub>9</sub>] is a wide-bandgap (3.51&#xa0;eV) semiconductor. Structural relationships to other members of the <i>A</i><sup>+</sup><i>B</i><sup>2+</sup>[B<sub>5</sub>O<sub>9</sub>] family, <i>A</i> = Na, K; <i>B</i> = Ca, Sr, Ba, Pb, are discussed.</p> Graphical Abstract <p></p>

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The First Silver Lead Borate, AgPb[B5O9]

  • 期刊论文

  • 发表日期：

    2026年7月30日

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  • V. E. Kireev,
  • D. O. Charkin,
  • Yu. O. Kopylova,
  • A. N. Gosteva,
  • M. Yu. Arsentʹev,
  • A. A. Kompanchenko,
  • M. G. Krzhizhanovskaya,
  • S. N. Volkov,
  • S. M. Aksenov

摘要

A new silver lead pentaborate, AgPb[B5O9] (1), was synthesized by solid-state reaction. The new compound crystallizes in the monoclinic system, space group P21/c, a = 6.5781(2) Å; b = 12.8609(3) Å, c = 8.6512(2) Å, β = 104.953(2)°. 1 is the first silver-containing representative of the A+B2+[B5O9] layered pentaborate family (A = Na, K, Ag; B = Ca, Sr, Ba, Pb). Its crystal structure is comprised of borate polyanion layers parallel to (010) with the topology 5:∞2[(5:3Δ + 2T)] which in turn are composed of corner-sharing pentaborate B5O11 groups, 5B : 3Δ2□:<2Δ□>–<Δ2□>, formed by two BO4 tetrahedra and three BO3 triangles. 1 is characterized by differential scanning calorimetry, single-crystal and high-temperature powder X-ray diffraction, infrared spectroscopy, and density functional theory calculations. Its thermal expansion of anisotropic (α11 = 5.8, α22 = 29.1, α33 = 11.3 × 10− 6 °C−1), due to the layered nature of the crystal structure. According to DFT calculations, AgPb[B5O9] is a wide-bandgap (3.51 eV) semiconductor. Structural relationships to other members of the A+B2+[B5O9] family, A = Na, K; B = Ca, Sr, Ba, Pb, are discussed.

Graphical Abstract