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Materials Data on BaPb3O4 by Materials Project

BaPb3O4 crystallizes in the hexagonal P-62c space group. The structure is three-dimensional. Ba2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are six shorter (2.93 Å) and two longer (3.17 Å) Ba–O bond lengths. Pb2+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are two shorter (2.22 Å) and one longer (2.23 Å) Pb–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Ba2+ and three equivalent Pb2+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ba2+ and two equivalent Pb2+ atoms.

36 MATERIALS SCIENCE↗