Materials Data on Nb3Sb2Te5 by Materials Project
Nb3Sb2Te5 crystallizes in the cubic I-43m space group. The structure is three-dimensional. Nb5+ is bonded in a 8-coordinate geometry to two equivalent Sb+2.50- and six Te2- atoms. Both Nb–Sb bond lengths are 2.91 Å. There are two shorter (2.90 Å) and four longer (2.93 Å) Nb–Te bond lengths. Sb+2.50- is bonded in a 4-coordinate geometry to three equivalent Nb5+ and four equivalent Te2- atoms. There are one shorter (2.94 Å) and three longer (3.26 Å) Sb–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 12-coordinate geometry to four equivalent Nb5+ atoms. In the second Te2- site, Te2- is bonded in a 4-coordinate geometry to three equivalent Nb5+ and four equivalent Sb+2.50- atoms.
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