Year 2005, Month 1 (Section Full Articles, Page 87)
New subvalent bismuth telluroiodides incorporating Bi2 layers:
the crystal and electronic structure of Bi2TeI
S. V. Savilov,(a) V. N. Khrustalev,(b) A. N. Kuznetsov,(a) B. A. Popovkin,(a)* and M. Yu. Antipin(b)
Two new subvalent bismuth telluroiodides, Bi2TeI and Bi4TeI1.25, were prepared by the
gas-phase synthesis. The compositions of these phases were determined by energy-dispersive
X-ray spectroscopy. X-ray diffraction study of melt-grown Bi2TeI single crystals demonstrated
that the compound crystallizes in the monoclinic system (space group C/2m) with the unit cell
parameters a = 7.586(1) Å, b = 4.380(1) Å, c = 17.741(3) Å, β = 98.20°. The layered crystal
structure of Bi2TeI consists of weakly bonded two-dimensional blocks with a stoichiometry of
the title compound. The blocks are stacked along the c axis. Each block consists of eight atomic
layers alternating in the Te—Bi—I—Bi—Bi—I—Bi—Te order and includes a double layer of
bismuth atoms. Based on the results of ab initio quantum-chemical calculations, the title
compound is expected to possess a pronounced anisotropy of conductivity.
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