Materials Data on Bi2TeO2 by Materials Project

Abstract

Bi2O2Te crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded in a 4-coordinate geometry to four equivalent Te2- and four O2- atoms. There are a spread of Bi–Te bond distances ranging from 3.44–3.50 Å. There are a spread of Bi–O bond distances ranging from 2.35–2.37 Å. In the second Bi3+ site, Bi3+ is bonded in a 4-coordinate geometry to four equivalent Te2- and four O2- atoms. There are a spread of Bi–Te bond distances ranging from 3.41–3.52 Å. There are a spread of Bi–O bond distances ranging from 2.34–2.39 Å. Te2- is bonded in a 8-coordinate geometry to eight Bi3+ and eight O2- atoms. There are a spread of Te–O bond distances ranging from 3.77–3.83 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four Bi3+ and four equivalent Te2- atoms to form a mixture of edge, corner, and face-sharing OBi4Te4 tetrahedra. In the second O2- site, O2- is bonded to four Bi3+ and four equivalent Te2- atoms to form a mixture of edge, corner, and face-sharing OBi4Te4 tetrahedra.