Russian Mineralogical Society
2nd International Conference "Crystallogenesis and Mineralogy"
Phase transition in BABF crystals

RMS-DPI code:  2007-1-59-0
Scientific session:  Session 3. Synthesis of crystalline materials and experimental mineralogy
Author listing:  Merkulov A.A., Isaenko L.I., Zhurkov S.I.
Principal author:  Merkulov Alexander Anatoliyevich
Language:  Russian
Abstract - Summary 
(short description):
The nonlinear fluorine contained crystals may be used for ultraviolet light generation. It is promising for application in photolithography and medicine. Early the structure of a new crystal BaAlBO3F2 (BABF) was refined in the space group P63/m. The reinvestigation of this structure in recent work gives the space group P-6. In present work the synthesis of the BABF and the thermal treatment of the powder were realized. It was discovered the crystal may be stabilized in two phases. It was established that a low-temperature nonlinear α-phase of the P-6 group may be grown at about 800˚C from the flux with low concentration whereas a high-temperature centre-symmetric β-phase P63/m grows from concentrated flux at ~ 900˚ C. In situ division of the anionic net that assumed the different ionic radii for the different anions was performed. The empty knots of the anionic net were found near Ba2+ cations. The Ba2+ displacement to empty knots provides phase transition.
RMS-DPI code:  2007-1-59-0
Proceeedings volume 
in the RMS catalogue:
Crystallogenesis and Mineralogy
Pages:  110-111
File of proceedings 
 260 K
Status:  printed
Accepted:  10/05/2007
Published on-line:  05/01/2008
Permanent address of publication:
Contact author(s):  Merkulov, Alexander Anatoliyevich

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