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DOE OSTI2020

Materials Data on Re3Pb by Materials Project

Re3Pb is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Re sites. In the first Re site, Re is bonded to four equivalent Re and four equivalent Pb atoms to form a mixture of distorted edge, face, and corner-sharing ReRe4Pb4 tetrahedra. All Re–Re bond lengths are 2.80 Å. All Re–Pb bond lengths are 2.80 Å. In the second Re site, Re is bonded in a 8-coordinate geometry to eight equivalent Re and six equivalent Pb atoms. All Re–Pb bond lengths are 3.24 Å. Pb is bonded in a distorted body-centered cubic geometry to fourteen Re atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on RePb3 by Materials Project

RePb3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Re is bonded in a body-centered cubic geometry to fourteen Pb atoms. There are eight shorter (3.19 Å) and six longer (3.68 Å) Re–Pb bond lengths. There are two inequivalent Pb sites. In the first Pb site, Pb is bonded in a distorted body-centered cubic geometry to four equivalent Re and four equivalent Pb atoms. All Pb–Pb bond lengths are 3.19 Å. In the second Pb site, Pb is bonded in a distorted body-centered cubic geometry to six equivalent Re and eight equivalent Pb atoms.

36 MATERIALS SCIENCE↗