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DOE OSTI2020

Materials Data on Pb(CO2)2 by Materials Project

PbC2O4 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Pb2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Pb–O bond distances ranging from 2.47–2.95 Å. There are two inequivalent C3+ sites. In the first C3+ site, C3+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.26 Å) and one longer (1.27 Å) C–O bond length. In the second C3+ site, C3+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.26 Å) and one longer (1.28 Å) C–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Pb2+ and one C3+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Pb2+ and one C3+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Pb2+ and one C3+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Pb2+ and one C3+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PbCO3 by Materials Project

PbCO3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Pb2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Pb–O bond distances ranging from 2.61–2.81 Å. C4+ is bonded in a trigonal planar geometry to three O2- atoms. All C–O bond lengths are 1.30 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Pb2+ and one C4+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to three equivalent Pb2+ and one C4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pb2CO4 by Materials Project

Pb2O(CO3) crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. there are two inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 1-coordinate geometry to seven O2- atoms. There are a spread of Pb–O bond distances ranging from 2.21–2.91 Å. In the second Pb2+ site, Pb2+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Pb–O bond distances ranging from 2.26–2.69 Å. C4+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of C–O bond distances ranging from 1.29–1.31 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to two equivalent Pb2+ and one C4+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three Pb2+ and one C4+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three Pb2+ and one C4+ atom. In the fourth O2- site, O2- is bonded in a trigonal non-coplanar geometry to three Pb2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pb2CO6 by Materials Project

PbCO4PbO2 crystallizes in the trigonal R3m space group. The structure is two-dimensional and consists of three PbCO4 sheets oriented in the (0, 0, 1) direction and three PbO2 sheets oriented in the (0, 0, 1) direction. In each PbCO4 sheet, Pb4+ is bonded to seven O2- atoms to form corner-sharing PbO7 hexagonal pyramids. There are one shorter (2.16 Å) and six longer (2.45 Å) Pb–O bond lengths. C4+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All C–O bond lengths are 1.29 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Pb4+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to two equivalent Pb4+ and one C4+ atom. In each PbO2 sheet, Pb4+ is bonded in a distorted single-bond geometry to four O2- atoms. There are one shorter (2.13 Å) and three longer (2.83 Å) Pb–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Pb4+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to three equivalent Pb4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pb(CO)4 by Materials Project

(C)2PbC2O4 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional and consists of four ethyne molecules and one PbC2O4 framework. In the PbC2O4 framework, Pb2+ is bonded to eight equivalent O2- atoms to form distorted edge-sharing PbO8 hexagonal bipyramids. There are four shorter (2.62 Å) and four longer (2.74 Å) Pb–O bond lengths. C+1.50+ is bonded in a bent 120 degrees geometry to two equivalent O2- atoms. Both C–O bond lengths are 1.27 Å. O2- is bonded in a distorted single-bond geometry to two equivalent Pb2+ and one C+1.50+ atom.

36 MATERIALS SCIENCE↗