Ba2.5Pb1.5B12O22: structural transformation from a centrosymmetric to a noncentrosymmetric space group by introducing Pb into Ba2B6O11. Issue 37 (25th August 2021)

• Record Type: Journal Article
• Authors: Liu, Kaitong; Han, Jian; Pan, Shilie
• Is Part Of: Dalton transactions. Volume 50:Issue 37(2021)
• Page Start: 13031
• Page End: 13036
• Publication Date: 2021-08-25
• Subjects: Chemistry, Inorganic -- Periodicals; Chemistry, Physical and theoretical -- Periodicals; Chemistry, Inorganic -- Periodicals; 546.05
• DOI: 10.1039/d1dt01368h
• Languages: English
• ISSNs: 1477-9226

Abstract

Abstract : Introducing Pb 2+ into Ba2 B6 O11 leads to a structural transformation from a centrosymmetric to a non-centrosymmetric space group. Abstract : A new congruent-melting lead barium borate, Ba2.5 Pb1.5 B12 O22, was synthesized via a high-temperature solid-state reaction under atmospheric pressure. It crystallizes in the noncentrosymmetric space group Cmc 21 with a unit cell of a = 19.051(8) Å, b = 10.726(3) Å, c = 8.612(3) Å, and Z = 4. It features a new functional building block (FBB), [B12 O26 ] 16−, that is made up of five [B3 O8 ] 7− and one [BO3 ] 3− connected by sharing vertex O atoms. It is derived by introducing Pb into Ba2 B6 O11, which leads to a structural transformation from a centrosymmetric to a noncentrosymmetric space group. Its second harmonic generation response (SHG) is approximately 0.9 times that of KDP at the fundamental wavelength of 1064 nm and is also phase-matchable. It has a wide transparent region with a UV cutoff edge of about 250 nm according to the reflectance spectra and high thermal stability, which illustrates that it is a potential candidate for ultraviolet nonlinear optical materials.