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Materials Data on BiPbClO2 by Materials Project

PbBiO2Cl crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Pb2+ is bonded in a 4-coordinate geometry to four equivalent O2- and four equivalent Cl1- atoms. All Pb–O bond lengths are 2.47 Å. There are two shorter (3.33 Å) and two longer (3.41 Å) Pb–Cl bond lengths. Bi3+ is bonded in a 4-coordinate geometry to four equivalent O2- and four equivalent Cl1- atoms. All Bi–O bond lengths are 2.25 Å. There are two shorter (3.49 Å) and two longer (3.53 Å) Bi–Cl bond lengths. O2- is bonded to two equivalent Pb2+ and two equivalent Bi3+ atoms to form a mixture of corner and edge-sharing OBi2Pb2 tetrahedra. Cl1- is bonded in a distorted body-centered cubic geometry to four equivalent Pb2+ and four equivalent Bi3+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on Bi4Pb(ClO3)2 by Materials Project

PbOBi2O3(BiOCl)2 crystallizes in the tetragonal I4/mmm space group. The structure is two-dimensional and consists of two BiOCl sheets oriented in the (0, 0, 1) direction and two PbOBi2O3 sheets oriented in the (0, 0, 1) direction. In each BiOCl sheet, Bi3+ is bonded in a 4-coordinate geometry to four equivalent O2- and four equivalent Cl1- atoms. All Bi–O bond lengths are 2.34 Å. All Bi–Cl bond lengths are 3.16 Å. O2- is bonded to four equivalent Bi3+ atoms to form a mixture of edge and corner-sharing OBi4 tetrahedra. Cl1- is bonded in a 4-coordinate geometry to four equivalent Bi3+ atoms. In each PbOBi2O3 sheet, Pb2+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Pb–O bond lengths are 2.63 Å. Bi3+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All Bi–O bond lengths are 2.22 Å. O2- is bonded to two equivalent Pb2+ and two equivalent Bi3+ atoms to form a mixture of distorted edge and corner-sharing OBi2Pb2 tetrahedra.

36 MATERIALS SCIENCE↗