Materials Data on SrBiIO2 by Materials Project

Abstract

SrBiO2I crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Sr2+ is bonded in a 4-coordinate geometry to four equivalent O2- and four equivalent I1- atoms. All Sr–O bond lengths are 2.51 Å. There are two shorter (3.59 Å) and two longer (3.73 Å) Sr–I bond lengths. Bi3+ is bonded in a 4-coordinate geometry to four equivalent O2- and four equivalent I1- atoms. All Bi–O bond lengths are 2.25 Å. There are two shorter (3.81 Å) and two longer (3.86 Å) Bi–I bond lengths. O2- is bonded to two equivalent Sr2+ and two equivalent Bi3+ atoms to form a mixture of corner and edge-sharing OSr2Bi2 tetrahedra. I1- is bonded in a 4-coordinate geometry to four equivalent Sr2+ and four equivalent Bi3+ atoms.