Materials Data on Lu11Te4 by Materials Project

Abstract

Lu11Te4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are seventeen inequivalent Lu sites. In the first Lu site, Lu is bonded in a 4-coordinate geometry to four Te atoms. There are three shorter (3.08 Å) and one longer (3.15 Å) Lu–Te bond lengths. In the second Lu site, Lu is bonded in a 2-coordinate geometry to two Te atoms. There are one shorter (3.17 Å) and one longer (3.39 Å) Lu–Te bond lengths. In the third Lu site, Lu is bonded in a 4-coordinate geometry to four Te atoms. There are two shorter (3.08 Å) and two longer (3.11 Å) Lu–Te bond lengths. In the fourth Lu site, Lu is bonded in a distorted single-bond geometry to two equivalent Lu and one Te atom. Both Lu–Lu bond lengths are 3.24 Å. The Lu–Te bond length is 3.15 Å. In the fifth Lu site, Lu is bonded in a distorted single-bond geometry to one Te atom. The Lu–Te bond length is 3.21 Å. In the sixth Lu site, Lu is bonded in a 3-coordinate geometry to three Te atoms. There are one shorter (3.06 Å) and two longer (3.12 Å) Lu–Te bond lengths. In the seventh Lu site, Lu is bonded in a distorted L-shaped geometry to two Te atoms. Both Lu–Te bond lengths are 3.14 Å. In the eighth Lu site, Lu is bonded to four Te atoms to form distorted corner-sharing LuTe4 trigonal pyramids. There are a spread of Lu–Te bond distances ranging from 3.10–3.16 Å. In the ninth Lu site, Lu is bonded in a 4-coordinate geometry to four Te atoms. There are two shorter (3.11 Å) and two longer (3.14 Å) Lu–Te bond lengths. In the tenth Lu site, Lu is bonded in a 4-coordinate geometry to four Te atoms. There are a spread of Lu–Te bond distances ranging from 3.09–3.45 Å. In the eleventh Lu site, Lu is bonded in a 3-coordinate geometry to three Te atoms. There are two shorter (3.10 Å) and one longer (3.11 Å) Lu–Te bond lengths. In the twelfth Lu site, Lu is bonded in a 3-coordinate geometry to three Te atoms. There are two shorter (3.12 Å) and one longer (3.22 Å) Lu–Te bond lengths. In the thirteenth Lu site, Lu is bonded in a 4-coordinate geometry to four Te atoms. There are two shorter (3.10 Å) and two longer (3.13 Å) Lu–Te bond lengths. In the fourteenth Lu site, Lu is bonded in a body-centered cubic geometry to eight Lu atoms. All Lu–Lu bond lengths are 3.24 Å. In the fifteenth Lu site, Lu is bonded in a 4-coordinate geometry to four Te atoms. There are two shorter (3.08 Å) and two longer (3.09 Å) Lu–Te bond lengths. In the sixteenth Lu site, Lu is bonded in a distorted L-shaped geometry to two equivalent Lu and two equivalent Te atoms. Both Lu–Te bond lengths are 3.04 Å. In the seventeenth Lu site, Lu is bonded in a 2-coordinate geometry to two equivalent Te atoms. Both Lu–Te bond lengths are 3.13 Å. There are six inequivalent Te sites. In the first Te site, Te is bonded to seven Lu atoms to form a mixture of distorted edge, face, and corner-sharing TeLu7 pentagonal bipyramids. In the second Te site, Te is bonded in a 8-coordinate geometry to eight Lu atoms. In the third Te site, Te is bonded in a 8-coordinate geometry to eight Lu atoms. In the fourth Te site, Te is bonded in a 9-coordinate geometry to nine Lu atoms. In the fifth Te site, Te is bonded to seven Lu atoms to form a mixture of distorted edge, face, and corner-sharing TeLu7 pentagonal bipyramids. In the sixth Te site, Te is bonded in a 8-coordinate geometry to eight Lu atoms.