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Results for “Bi-I-Te”

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on BiTeI by Materials Project

BiTeI is Calaverite-derived structured and crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. Bi3+ is bonded to three equivalent Te2- and three equivalent I1- atoms to form edge-sharing BiTe3I3 octahedra. All Bi–Te bond lengths are 3.07 Å. All Bi–I bond lengths are 3.30 Å. Te2- is bonded in a 6-coordinate geometry to three equivalent Bi3+ and three equivalent I1- atoms. All Te–I bond lengths are 4.41 Å. I1- is bonded in a 3-coordinate geometry to three equivalent Bi3+ and three equivalent Te2- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Bi2TeI by Materials Project

Bi2TeI crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of four bismuth molecules and two BiTeI sheets oriented in the (0, 0, 1) direction. In each BiTeI sheet, Bi+1.50+ is bonded to three equivalent Te2- and three equivalent I1- atoms to form edge-sharing BiTe3I3 octahedra. There are two shorter (3.07 Å) and one longer (3.08 Å) Bi–Te bond lengths. All Bi–I bond lengths are 3.30 Å. Te2- is bonded in a 3-coordinate geometry to three equivalent Bi+1.50+ atoms. I1- is bonded in a 3-coordinate geometry to three equivalent Bi+1.50+ atoms.

36 MATERIALS SCIENCE↗