Materials Data on EuBi2IO4 by Materials Project

Abstract

EuBi2O4I is alpha bismuth trifluoride-derived structured and crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Eu3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are four shorter (2.45 Å) and four longer (2.46 Å) Eu–O bond lengths. Bi3+ is bonded in a 4-coordinate geometry to four O2- and four equivalent I1- atoms. There are a spread of Bi–O bond distances ranging from 2.26–2.28 Å. There are a spread of Bi–I bond distances ranging from 3.66–3.69 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Eu3+ and two equivalent Bi3+ atoms to form a mixture of edge and corner-sharing OEu2Bi2 tetrahedra. In the second O2- site, O2- is bonded to two equivalent Eu3+ and two equivalent Bi3+ atoms to form a mixture of edge and corner-sharing OEu2Bi2 tetrahedra. I1- is bonded in a distorted body-centered cubic geometry to eight equivalent Bi3+ atoms.