Syntheses, Crystal Structure, and Second Harmonic Generation Response of Noncentrosymmetric Layered Selenites and Tellurites of Antimony(V), ASb3X2O12 (A = K, Rb, Cs, Tl; X = Se, Te)

Rintu Robert; Vineela Balisetty; Kalapaneni Mohanrao; Minimol Mannamala Pappan; Shilpa Mangalassery; D Narayana Rao; Kanamaluru Vidyasagar

doi:10.1021/acs.inorgchem.3c00628

Syntheses, Crystal Structure, and Second Harmonic Generation Response of Noncentrosymmetric Layered Selenites and Tellurites of Antimony(V), ASb₃X₂O₁₂ (A = K, Rb, Cs, Tl; X = Se, Te)

Inorg Chem. 2023 May 22;62(20):7890-7897. doi: 10.1021/acs.inorgchem.3c00628. Epub 2023 May 12.

Authors

Rintu Robert¹, Vineela Balisetty¹, Kalapaneni Mohanrao¹, Minimol Mannamala Pappan¹, Shilpa Mangalassery², D Narayana Rao², Kanamaluru Vidyasagar¹

Affiliations

¹ Department of Chemistry, Indian Institute of Technology Madras, Chennai, Tamil Nadu 600036, India.
² School of Physics, University of Hyderabad, Hyderabad, Telangana 500046, India.

PMID: 37171094
DOI: 10.1021/acs.inorgchem.3c00628

Abstract

Eight quaternary selenites and tellurites of antimony(V), ASb₃X₂O₁₂ (A = K, Rb, Cs, Tl; X = Se, Te), have been synthesized by solid state reactions and structurally characterized by single crystal X-ray diffraction. They are isostructural compounds, which crystallize in the polar noncentrosymmetric P6₃mc space group with hexagonal unit cell parameter values in the ranges of a = 7.1538(1)-7.2429(1) Å and c = 11.8978(4)-12.0478(3) Å. Their noncentrosymmetric layered structure consists of hexagonal-tungsten-oxide-related (Sb₃X₂O₁₂)^- layers interleaved with A⁺ ions. They have optical band gap values of 2.90-4.46 eV and showed powder second harmonic generation response equivalent to 1.0-37.2 × KDP.