Инд. авторы:	Rashchenko S.V., Bakakin V.V., Kozlova S.G., Bekker T.B., Fedorov P.P.
Заглавие:	Features of anionic isomorphism in fluoride borates
Библ. ссылка:	Rashchenko S.V., Bakakin V.V., Kozlova S.G., Bekker T.B., Fedorov P.P. Features of anionic isomorphism in fluoride borates // Journal of Structural Chemistry. - 2015. - Vol.56. - Iss. 1. - P.85-91. - ISSN 0022-4766. - EISSN 1573-8779.
Внешние системы:	DOI: 10.1134/S0022476615010126; РИНЦ: 24020287; SCOPUS: 2-s2.0-84925857443; WoS: 000351691800012;
Реферат:	eng: In the work the structures of fluoride borates demonstrating the substitution with the stoichiometry (BO3)(3-) a dagger" 3F(-) are analyzed and the specific role of tetrahedral anionic [X-4](4-) groups is revealed in this substitution. The possibility of the F-F interaction in [F-4](4-) groups uncharacteristic of ionic crystals is confirmed by ab initio quantum chemical simulation of the crystal structure of Ba4-x Sr3+x (BO3)(4-y) F2+3y .
Ключевые слова:	GROWTH; SYSTEM; PERTSEVITE; SUBSTITUTION; APPROXIMATION; X-RAY; ENERGY; OPTICAL-PROPERTIES; HIGH-PRESSURE SYNTHESIS; fluorine; orthoborates; anionic isomorphism; CRYSTAL-STRUCTURE;
Издано:	2015
Физ. характеристика:	с.85-91