Materials Data on Ba(TmTe2)2 by Materials Project
Ba(TmTe2)2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ba2+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are a spread of Ba–Te bond distances ranging from 3.55–3.74 Å. There are two inequivalent Tm3+ sites. In the first Tm3+ site, Tm3+ is bonded to six Te2- atoms to form a mixture of edge and corner-sharing TmTe6 octahedra. The corner-sharing octahedra tilt angles range from 47–58°. There are a spread of Tm–Te bond distances ranging from 3.03–3.12 Å. In the second Tm3+ site, Tm3+ is bonded to six Te2- atoms to form a mixture of edge and corner-sharing TmTe6 octahedra. The corner-sharing octahedra tilt angles range from 47–58°. There are a spread of Tm–Te bond distances ranging from 3.03–3.10 Å. There are four inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to two equivalent Ba2+ and three Tm3+ atoms to form a mixture of distorted edge and corner-sharing TeBa2Tm3 trigonal bipyramids. In the second Te2- site, Te2- is bonded to two equivalent Ba2+ and three equivalent Tm3+ atoms to form a mixture of distorted edge and corner-sharing TeBa2Tm3 square pyramids. In the third Te2- site, Te2- is bonded in a 5-coordinate geometry to two equivalent Ba2+ and three Tm3+ atoms. In the fourth Te2- site, Te2- is bonded in a 5-coordinate geometry to two equivalent Ba2+ and three equivalent Tm3+ atoms.