Planar nets of Ti atoms comprising squares and rhombs in the new binary antimonide Ti2Sb

Journal of the American Chemical Society
Shahab DerakhshanHolger Kleinke

Abstract

The new binary antimonide Ti(2)Sb was found to crystallize in a distorted variant of the La(2)Sb type, which contains a square planar La net with short La-La bonds. In the Ti(2)Sb structure, the corresponding Ti net is deformed to squares and rhombs in order to enhance Ti-Ti bonding, as proven by single-crystal X-ray investigation in combination with the real-space pair distribution function technique utilizing both X-ray and neutron powder diffraction data. Electronic structure calculations revealed a lowering of the total energy caused by the disorder, the major driving force being strengthened Ti-Ti interactions along the diagonal of the Ti(4) rhombs.

References

Jun 15, 1994·Physical Review. B, Condensed Matter·P E BlöchlO K Andersen
Jul 18, 2001·Journal of the American Chemical Society·A M Mills, A Mar

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Citations

Feb 8, 2011·Chemical Communications : Chem Comm·Hiroshi Mizoguchi, Hideo Hosono

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