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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on BaMgGe by Materials Project

BaMgGe is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Ba is bonded in a 5-coordinate geometry to four equivalent Mg and five equivalent Ge atoms. All Ba–Mg bond lengths are 3.56 Å. There are four shorter (3.48 Å) and one longer (3.63 Å) Ba–Ge bond lengths. Mg is bonded to four equivalent Ba and four equivalent Ge atoms to form a mixture of distorted face and edge-sharing MgBa4Ge4 tetrahedra. All Mg–Ge bond lengths are 2.87 Å. Ge is bonded in a 9-coordinate geometry to five equivalent Ba and four equivalent Mg atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ba(MgGe)2 by Materials Project

Ba(MgGe)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ba is bonded in a 8-coordinate geometry to eight equivalent Mg and eight equivalent Ge atoms. All Ba–Mg bond lengths are 3.71 Å. All Ba–Ge bond lengths are 3.58 Å. Mg is bonded to four equivalent Ba and four equivalent Ge atoms to form a mixture of corner, edge, and face-sharing MgBa4Ge4 tetrahedra. All Mg–Ge bond lengths are 2.81 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Ba, four equivalent Mg, and one Ge atom. The Ge–Ge bond length is 2.67 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on BaMg4Ge3 by Materials Project

BaMg4Ge3 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ba is bonded in a 8-coordinate geometry to eight equivalent Mg and eight equivalent Ge atoms. All Ba–Mg bond lengths are 3.66 Å. All Ba–Ge bond lengths are 3.56 Å. Mg is bonded to two equivalent Ba and four Ge atoms to form a mixture of distorted edge, face, and corner-sharing MgBa2Ge4 tetrahedra. There are two shorter (2.78 Å) and two longer (2.83 Å) Mg–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a body-centered cubic geometry to eight equivalent Mg atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Ba, four equivalent Mg, and one Ge atom. The Ge–Ge bond length is 2.61 Å.

36 MATERIALS SCIENCE↗