Materials Data on NaPb2C2O7 by Materials Project
NaPb2C2O7 crystallizes in the monoclinic Cc space group. The structure is two-dimensional and consists of two NaPb2C2O7 sheets oriented in the (0, 0, 1) direction. Na1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Na–O bond distances ranging from 2.56–3.05 Å. There are two inequivalent Pb3+ sites. In the first Pb3+ site, Pb3+ is bonded to seven O2- atoms to form distorted corner-sharing PbO7 hexagonal pyramids. There are a spread of Pb–O bond distances ranging from 2.10–2.67 Å. In the second Pb3+ site, Pb3+ is bonded to seven O2- atoms to form distorted corner-sharing PbO7 hexagonal pyramids. There are a spread of Pb–O bond distances ranging from 2.10–2.66 Å. There are two inequivalent C+3.50+ sites. In the first C+3.50+ site, C+3.50+ is bonded in a trigonal planar geometry to three O2- atoms. All C–O bond lengths are 1.30 Å. In the second C+3.50+ site, C+3.50+ is bonded in a trigonal planar geometry to three O2- atoms. All C–O bond lengths are 1.30 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to three equivalent Na1+ and two Pb3+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Na1+, two equivalent Pb3+, and one C+3.50+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Na1+, two equivalent Pb3+, and one C+3.50+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one Na1+, two equivalent Pb3+, and one C+3.50+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one Na1+, two equivalent Pb3+, and one C+3.50+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to one Na1+, two equivalent Pb3+, and one C+3.50+ atom. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to one Na1+, two equivalent Pb3+, and one C+3.50+ atom.