TY - JOUR

T1 - Ba4B11O20F: Growth of Crystals and their Stability Under High Pressures

AU - Давыдов, Алексей Владимирович

AU - Виноградова, Юлия Геннадьевна

AU - Сагатов, Нурсултан

AU - Беккер, Татьяна Борисовна

N1 - This study was funded by the Russian Science Foundation (project No. 21-19-00097, https://www.rscf.ru/project/21-19-00097/).

PY - 2023/5

Y1 - 2023/5

N2 - The Ba4B11O20F (BBOF) compound (Cmc21) was first described in 2013 [1]. It was prepared by a solid-phase synthesis from a mixture of Ba(NO3)2, H3BO3, and BaF2 in the course of a two-stage annealing in air at 450 °C and 780 °C and from melts with the composition corresponding to the BaO–BaF2–B2O3 ternary system. It was established by differential scanning calorimetry that this compound melts congruently at ~900 °C. It crystallizes in a non-centrosymmetric space group and is characterized by a framework structure composed of B3O8 rings formed by two tetrahedra and a triangle. The absence of a center of symmetry is essential for nonlinear optical applications. Among known boron-containing compounds, Ba4B11O20F has exceptionally high nonlinear optical coefficients. For example, the second-harmonic generation intensity estimated by the Kurtz–Perry method is ~10 times larger than the susceptibility of KH2PO4 (KDP) potassium dihydrogen phosphate crystals and ∼1.8 times larger than the susceptibility of crystals of the low-temperature barium borate β-BaB2O4 modification which are the main crystals utilized in the UV range in industry. Absolute values of nonlinear optical susceptibility coefficients for BBOF are d31 = 1.57 pm/V, d32 = 0.27 pm/V, and d33 = 0.46 pm/V. In terms of possible

AB - The Ba4B11O20F (BBOF) compound (Cmc21) was first described in 2013 [1]. It was prepared by a solid-phase synthesis from a mixture of Ba(NO3)2, H3BO3, and BaF2 in the course of a two-stage annealing in air at 450 °C and 780 °C and from melts with the composition corresponding to the BaO–BaF2–B2O3 ternary system. It was established by differential scanning calorimetry that this compound melts congruently at ~900 °C. It crystallizes in a non-centrosymmetric space group and is characterized by a framework structure composed of B3O8 rings formed by two tetrahedra and a triangle. The absence of a center of symmetry is essential for nonlinear optical applications. Among known boron-containing compounds, Ba4B11O20F has exceptionally high nonlinear optical coefficients. For example, the second-harmonic generation intensity estimated by the Kurtz–Perry method is ~10 times larger than the susceptibility of KH2PO4 (KDP) potassium dihydrogen phosphate crystals and ∼1.8 times larger than the susceptibility of crystals of the low-temperature barium borate β-BaB2O4 modification which are the main crystals utilized in the UV range in industry. Absolute values of nonlinear optical susceptibility coefficients for BBOF are d31 = 1.57 pm/V, d32 = 0.27 pm/V, and d33 = 0.46 pm/V. In terms of possible

KW - 3 GPa and 6 GPa pressures

KW - Ba4B11O20F fluoride borate

KW - BaO–B2O3–BaF2 ternary system

KW - Raman spectra

KW - multi-anvil hydraulic DIA-type press

UR - https://www.scopus.com/record/display.uri?eid=2-s2.0-85160927348&origin=inward&txGid=83256bc3fd8bccdf7ecd9eadd9e97c49

UR - https://www.mendeley.com/catalogue/0d0fff38-d462-390f-a6fd-10c45dbd7729/

U2 - 10.1134/S0022476623050116

DO - 10.1134/S0022476623050116

M3 - Article

VL - 64

SP - 932

EP - 941

JO - Journal of Structural Chemistry

JF - Journal of Structural Chemistry

SN - 0022-4766

IS - 5

ER -