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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on PbCl2 by Materials Project

PbCl2 is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Pb2+ is bonded in a 7-coordinate geometry to seven Cl1- atoms. There are a spread of Pb–Cl bond distances ranging from 2.83–3.20 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded to four equivalent Pb2+ atoms to form a mixture of distorted corner and edge-sharing ClPb4 tetrahedra. In the second Cl1- site, Cl1- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Pb2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PbCl4 by Materials Project

PbCl4 is Silicon tetrafluoride-like structured and crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four lead tetrachloride molecules. Pb4+ is bonded in a tetrahedral geometry to four Cl1- atoms. All Pb–Cl bond lengths are 2.42 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Pb4+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Pb4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PbCl2 by Materials Project

PbCl2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of Pb–Cl bond distances ranging from 2.91–3.39 Å. In the second Pb2+ site, Pb2+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of Pb–Cl bond distances ranging from 2.95–3.29 Å. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 4-coordinate geometry to four Pb2+ atoms. In the second Cl1- site, Cl1- is bonded in a 4-coordinate geometry to four Pb2+ atoms. In the third Cl1- site, Cl1- is bonded to four Pb2+ atoms to form a mixture of distorted corner and edge-sharing ClPb4 tetrahedra. In the fourth Cl1- site, Cl1- is bonded in a 4-coordinate geometry to four Pb2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PbCl2 by Materials Project

PbCl2 is Rutile structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Pb2+ is bonded to six equivalent Cl1- atoms to form a mixture of corner and edge-sharing PbCl6 octahedra. The corner-sharing octahedral tilt angles are 50°. There are two shorter (2.92 Å) and four longer (2.94 Å) Pb–Cl bond lengths. Cl1- is bonded in a distorted trigonal planar geometry to three equivalent Pb2+ atoms.

36 MATERIALS SCIENCE↗