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DOE OSTI2020

Materials Data on CaMgPb by Materials Project

CaMgPb crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ca is bonded in a 5-coordinate geometry to five equivalent Pb atoms. There are a spread of Ca–Pb bond distances ranging from 3.32–3.44 Å. Mg is bonded to four equivalent Pb atoms to form a mixture of distorted edge and corner-sharing MgPb4 tetrahedra. There are a spread of Mg–Pb bond distances ranging from 2.96–3.07 Å. Pb is bonded in a 9-coordinate geometry to five equivalent Ca and four equivalent Mg atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Ca2MgPb by Materials Project

Ca2MgPb crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Ca2MgPb ribbons oriented in the (1, 0, 0) direction. Ca is bonded in a linear geometry to one Mg and one Pb atom. The Ca–Mg bond length is 3.48 Å. The Ca–Pb bond length is 3.01 Å. Mg is bonded in a linear geometry to two equivalent Ca atoms. Pb is bonded in a linear geometry to two equivalent Ca atoms.

36 MATERIALS SCIENCE↗