Growth and Optical Properties of LixNa1-xBa12(BO3)7F4 Fluoride Borates with "Antizeolite" Structure

Tatyana B Bekker; Sergey V Rashchenko; Vladimir P Solntsev; Alexander P Yelisseyev; Alexander A Kragzhda; Vladimir V Bakakin; Yuriy V Seryotkin; Alexander E Kokh; Konstantin A Kokh; Artem B Kuznetsov

doi:10.1021/acs.inorgchem.7b00520

Growth and Optical Properties of Li_xNa_1-xBa₁₂(BO₃)₇F₄ Fluoride Borates with "Antizeolite" Structure

Inorg Chem. 2017 May 1;56(9):5411-5419. doi: 10.1021/acs.inorgchem.7b00520. Epub 2017 Apr 10.

Authors

Tatyana B Bekker^{1

2}, Sergey V Rashchenko¹, Vladimir P Solntsev, Alexander P Yelisseyev, Alexander A Kragzhda¹, Vladimir V Bakakin, Yuriy V Seryotkin¹, Alexander E Kokh, Konstantin A Kokh¹, Artem B Kuznetsov¹

Affiliations

¹ Novosibirsk State University , 630090 Novosibirsk, Russia.
² Novosibirsk State Academy of Architecture and Arts , 630099 Novosibirsk, Russia.

PMID: 28394588
DOI: 10.1021/acs.inorgchem.7b00520

Abstract

Studied Li_xNa_1-xBa₁₂(BO₃)₇F₄ (P4₂bc) solid solution belongs to the new class of "antizeolite" borates with [Ba₁₂(BO₃)₆]⁶⁺ cation pattern, which contains channels filled by anionic clusters. Optical-quality crystals were grown from the compositions with different sodium-lithium ratio. The results of Rietveld refinement based on powder data demonstrate linear increase of parameter a and unit cell volume with Na/(Na + Li) ratio in cation site. Parameter c is less sensitive to the changes in stoichiometry, which is consistent with channel topology of Li_xNa_1-xBa₁₂(BO₃)₇F₄ structure. Distinctive feature of Li_xNa_1-xBa₁₂(BO₃)₇F₄ crystals is their deep purple color, which is due to both hole-type and electron-type centers. Crystals are characterized by linear dichroism effect.