Single crystals of boron-doped Ba8Al14Si31 clathrate I phase were prepared using Al flux growth. The structure and elemental composition of the samples were characterized by single-crystal and powder X-ray diffraction; elemental analysis; and multinuclear 27Al, 11B, and 29Si solid-state NMR. The samples' compositions of Ba8B0.17Al14Si31, Ba 8B0.19Al15Si31, and Ba 8B0.32Al14Si31 were consistent with the framework-deficient clathrate I structure Ba8Al xSi42-3/4x□4-1/4x (x = 14, □ = lattice defect). Solid-state NMR provides further evidence for boron doped into the framework structure. Temperature-dependent resistivity indicates metallic behavior, and the negative Seebeck coefficient indicates that transport processes are dominated by electrons. Thermal conductivity is low, but not significantly lower than that observed in the undoped Ba8Al 14Si31 prepared in the same manner.
ASJC Scopus subject areas
- Physical and Theoretical Chemistry
- Inorganic Chemistry