Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
The First Silver Lead Borate, AgPb[B5O9]. / Kireev, V. E.; Charkin, D. O.; Kopylova, Yu. O.; Gosteva, A. N.; Arsentʹev, M. Yu.; Kompanchenko, A. A.; Krzhizhanovskaya, M. G.; Volkov, S. N.; Aksenov, S. M.
в: Journal of Chemical Crystallography, Том 56, № 3, 49, 01.09.2026.Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
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TY - JOUR
T1 - The First Silver Lead Borate, AgPb[B5O9]
AU - Kireev, V. E.
AU - Charkin, D. O.
AU - Kopylova, Yu. O.
AU - Gosteva, A. N.
AU - Arsentʹev, M. Yu.
AU - Kompanchenko, A. A.
AU - Krzhizhanovskaya, M. G.
AU - Volkov, S. N.
AU - Aksenov, S. M.
PY - 2026/9/1
Y1 - 2026/9/1
N2 - 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□:–, 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.
AB - 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□:–, 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.
KW - Crystal structure
KW - Lone pair
KW - Pentaborate
UR - https://www.mendeley.com/catalogue/e072da87-b6d0-3014-9e75-295408553f90/
U2 - 10.1007/s10870-026-01110-8
DO - 10.1007/s10870-026-01110-8
M3 - Article
VL - 56
JO - Journal of Chemical Crystallography
JF - Journal of Chemical Crystallography
SN - 1074-1542
IS - 3
M1 - 49
ER -
ID: 161103388