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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on PrPb2 by Materials Project

PrPb2 is Parent of FeAs superconductors-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is two-dimensional and consists of two PrPb2 sheets oriented in the (0, 0, 1) direction. Pr is bonded to four equivalent Pr and eight equivalent Pb atoms to form a mixture of face and corner-sharing PrPr4Pb8 cuboctahedra. All Pr–Pr bond lengths are 3.37 Å. All Pr–Pb bond lengths are 3.59 Å. Pb is bonded in a 8-coordinate geometry to four equivalent Pr and four equivalent Pb atoms. All Pb–Pb bond lengths are 3.37 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrPb2 by Materials Project

PrPb2 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Pr is bonded in a 10-coordinate geometry to ten Pb atoms. There are a spread of Pr–Pb bond distances ranging from 3.36–3.70 Å. There are two inequivalent Pb sites. In the first Pb site, Pb is bonded in a distorted square co-planar geometry to four equivalent Pr atoms. In the second Pb site, Pb is bonded in a 4-coordinate geometry to six equivalent Pr atoms.

36 MATERIALS SCIENCE↗