The charge density distribution has been determined for a transition metal cyanide, [Formula presented], by means of the maximum entropy–Rietveld method combined with the highly angularly resolved synchrotron radiation x-ray powder diffraction at SPring-8 BL02B2. We directly observed a charge transfer from the Mn site to the Fe site in the low-temperature phase. On the basis of a local density approximation calculation, we discuss the origin for the anisotropic bonding electron distribution around the [Formula presented] ion in the low-temperature phase.
ASJC Scopus subject areas
- Physics and Astronomy(all)