Materials Data on BaSbClO2 by Materials Project

Abstract

BaSbO2Cl crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ba2+ is bonded in a 8-coordinate geometry to four equivalent O2- and four equivalent Cl1- atoms. All Ba–O bond lengths are 2.76 Å. There are two shorter (3.21 Å) and two longer (3.40 Å) Ba–Cl bond lengths. Sb3+ is bonded to four equivalent O2- atoms to form distorted edge-sharing SbO4 trigonal pyramids. All Sb–O bond lengths are 2.11 Å. O2- is bonded to two equivalent Ba2+ and two equivalent Sb3+ atoms to form distorted OBa2Sb2 tetrahedra that share corners with four equivalent OBa2Sb2 tetrahedra, corners with eight equivalent ClBa4 tetrahedra, and edges with four equivalent OBa2Sb2 tetrahedra. Cl1- is bonded to four equivalent Ba2+ atoms to form distorted ClBa4 tetrahedra that share corners with four equivalent ClBa4 tetrahedra, corners with sixteen equivalent OBa2Sb2 tetrahedra, and edges with four equivalent ClBa4 tetrahedra.