Indexed by:
Abstract:
A new barium aluminoborate, Ba2Al4B6O17, has been synthesized by the high temperature solution reaction at 780 degrees C. The single-crystal XRD analysis shows that it crystallizes in triclinic space group P (1) over bar with a = 8.9601(5), b = 9.1835(6), c = 10.6574(7) angstrom, alpha = 95.050(6)degrees, beta = 111.569(5)degrees, gamma = 90.280(6)degrees, V = 811.71(9) angstrom(3), Z = 2, M-r = 719.46, D-c = 2.944 g/cm(3), mu = 5.127 mm(-1), F(000) = 660, R = 0.0361 and wR = 0.0855 for 3846 observed reflections and 262 variables. This compound represents a new structure that features a three-dimensional [Al4B6O17](n)(4n-) framework constructed by AlO4 tetrahedra, BO3 triangles, and B2O54- groups composed of two corner-sharing BO3 triangles, with intersecting open channels accommodating Ba2+ cations. It melts incongruently at 849 degrees C. The existence of BO3 groups is confirmed by FT-IR and Raman spectra. The insulating nature with an optical band gap of about 3.50 eV is revealed by UV-VIS diffuse reflectance spectrum. Band structure calculations indicate that it is an indirect band material.
Keyword:
Reprint Author's Address:
Email:
Source :
CHINESE JOURNAL OF STRUCTURAL CHEMISTRY
ISSN: 0254-5861
Year: 2019
Issue: 8
Volume: 38
Page: 1380-1391
2 . 2 0 0
JCR@2022
ESI Discipline: CHEMISTRY;
ESI HC Threshold:166
JCR Journal Grade:4
Cited Count:
WoS CC Cited Count: 2
SCOPUS Cited Count: 2
ESI Highly Cited Papers on the List: 0 Unfold All
WanFang Cited Count:
Chinese Cited Count:
30 Days PV: 8
Affiliated Colleges: