Synthesis and crystal structure determination of a new pressure-induced iridium ditelluride phase, m-IrTe2, and comparison of the crystal structures and relative stabilities of various IrTe2 polymorphs
S. Jobic et al., Synthesis and crystal structure determination of a new pressure-induced iridium ditelluride phase, m-IrTe2, and comparison of the crystal structures and relative stabilities of various IrTe2 polymorphs, INORG CHEM, 39(19), 2000, pp. 4370-4373
The new monoclinic IrTe2 phase m-IrTe2 was synthesized under pressure, and
its structure was determined by X-ray powder diffraction. The relative stab
ilities of the three known and three hypothetical IrTe2 polymorphs were dis
cussed on the basis of tight binding electronic band structure calculations
. m-IrTe2 exhibits structural features of both CdI2- and pyrite-type IrTe2
phases and is expected to be nearly as stable as that of the Cdh-type IrTe2
. The hypothetical IrS2- and ramsdellite-type IrTe2 phases are predicted to
be more stable than the CdI2-type IrTe2.