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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on ZnPb3 by Materials Project

ZnPb3 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Zn is bonded in a distorted square co-planar geometry to twelve Pb atoms. There are four shorter (3.35 Å) and eight longer (3.47 Å) Zn–Pb bond lengths. There are two inequivalent Pb sites. In the first Pb site, Pb is bonded to four equivalent Zn and eight Pb atoms to form a mixture of distorted corner, edge, and face-sharing PbZn4Pb8 cuboctahedra. There are four shorter (3.35 Å) and four longer (3.47 Å) Pb–Pb bond lengths. In the second Pb site, Pb is bonded to four equivalent Zn and eight equivalent Pb atoms to form a mixture of distorted corner, edge, and face-sharing PbZn4Pb8 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ZnPb3 by Materials Project

ZnPb3 is beta-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Zn is bonded to twelve equivalent Pb atoms to form distorted ZnPb12 cuboctahedra that share corners with six equivalent ZnPb12 cuboctahedra, corners with twelve equivalent PbZn4Pb8 cuboctahedra, edges with eighteen equivalent PbZn4Pb8 cuboctahedra, faces with eight equivalent ZnPb12 cuboctahedra, and faces with twelve equivalent PbZn4Pb8 cuboctahedra. There are six shorter (3.40 Å) and six longer (3.43 Å) Zn–Pb bond lengths. Pb is bonded to four equivalent Zn and eight equivalent Pb atoms to form distorted PbZn4Pb8 cuboctahedra that share corners with four equivalent ZnPb12 cuboctahedra, corners with fourteen equivalent PbZn4Pb8 cuboctahedra, edges with six equivalent ZnPb12 cuboctahedra, edges with twelve equivalent PbZn4Pb8 cuboctahedra, faces with four equivalent ZnPb12 cuboctahedra, and faces with sixteen equivalent PbZn4Pb8 cuboctahedra. There are a spread of Pb–Pb bond distances ranging from 3.35–3.52 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ZnPb3 by Materials Project

ZnPb3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Zn is bonded in a body-centered cubic geometry to eight equivalent Pb atoms. All Zn–Pb bond lengths are 3.35 Å. There are two inequivalent Pb sites. In the first Pb site, Pb is bonded in a distorted body-centered cubic geometry to four equivalent Zn and four equivalent Pb atoms. All Pb–Pb bond lengths are 3.35 Å. In the second Pb site, Pb is bonded in a body-centered cubic geometry to eight equivalent Pb atoms.

36 MATERIALS SCIENCE↗