Materials Data on TaPbSe2 by Materials Project
PbTaSe2 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Ta is bonded to six equivalent Se atoms to form distorted edge-sharing TaSe6 pentagonal pyramids. All Ta–Se bond lengths are 2.61 Å. Pb is bonded in a distorted linear geometry to two equivalent Se atoms. Both Pb–Se bond lengths are 3.08 Å. Se is bonded in a 4-coordinate geometry to three equivalent Ta and one Pb atom.
36 MATERIALS SCIENCE↗