Research output: Contribution to journal › Article › peer-review
Short-range order in Li–Al tourmalines : IR spectroscopy, X-ray single crystal diffraction analysis and a bond valence theory approach. / Bronzova, Yuliya; Babushkina, Miriam; Frank-Kamenetskaya, Olga; Vereshchagin, Oleg; Rozhdestvenskaya, Ira; Zolotarev, Anatoly.
In: Physics and Chemistry of Minerals, Vol. 46, No. 9, 01.10.2019, p. 815-825.Research output: Contribution to journal › Article › peer-review
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TY - JOUR
T1 - Short-range order in Li–Al tourmalines
T2 - IR spectroscopy, X-ray single crystal diffraction analysis and a bond valence theory approach
AU - Bronzova, Yuliya
AU - Babushkina, Miriam
AU - Frank-Kamenetskaya, Olga
AU - Vereshchagin, Oleg
AU - Rozhdestvenskaya, Ira
AU - Zolotarev, Anatoly
PY - 2019/10/1
Y1 - 2019/10/1
N2 - The short-range order in Li–Al–(OH−, F−) tourmalines with Y[Li/Al] ≈ 1 and different Na/Ca ratio was investigated by means of bond valence theory, experimental IR spectroscopic data and the results of X-ray single crystal diffraction. The stability of the arrangements coordinating W- and V-crystallographic sites occupied by OH−, F− and O2− ions was refined. A unified model of assignment of absorption bands in the IR spectra to the local arrangements (clusters) was suggested taking into account the first and the second OH−coordination spheres. The types of local cation arrangements around the W- and V-anion sites, alongside with clusters ratio and their distribution were brought out. The short-range order in Li–Al tourmalines controlled not only by local restrictions of the bond valence theory, but also by the long-range order was described.
AB - The short-range order in Li–Al–(OH−, F−) tourmalines with Y[Li/Al] ≈ 1 and different Na/Ca ratio was investigated by means of bond valence theory, experimental IR spectroscopic data and the results of X-ray single crystal diffraction. The stability of the arrangements coordinating W- and V-crystallographic sites occupied by OH−, F− and O2− ions was refined. A unified model of assignment of absorption bands in the IR spectra to the local arrangements (clusters) was suggested taking into account the first and the second OH−coordination spheres. The types of local cation arrangements around the W- and V-anion sites, alongside with clusters ratio and their distribution were brought out. The short-range order in Li–Al tourmalines controlled not only by local restrictions of the bond valence theory, but also by the long-range order was described.
KW - Bond valence theory
KW - Infrared spectroscopy
KW - Li–Al tourmaline
KW - Short-range ordering
KW - X-ray single crystal diffraction
UR - http://www.scopus.com/inward/record.url?scp=85067406573&partnerID=8YFLogxK
U2 - 10.1007/s00269-019-01042-0
DO - 10.1007/s00269-019-01042-0
M3 - Article
AN - SCOPUS:85067406573
VL - 46
SP - 815
EP - 825
JO - Physics and Chemistry of Minerals
JF - Physics and Chemistry of Minerals
SN - 0342-1791
IS - 9
ER -
ID: 43494735