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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on BaCdGe by Materials Project

BaCdGe is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ba is bonded to six equivalent Cd and six equivalent Ge atoms to form a mixture of face and edge-sharing BaCd6Ge6 cuboctahedra. All Ba–Cd bond lengths are 3.66 Å. All Ba–Ge bond lengths are 3.66 Å. Cd is bonded in a distorted trigonal planar geometry to six equivalent Ba and three equivalent Ge atoms. All Cd–Ge bond lengths are 2.75 Å. Ge is bonded in a 3-coordinate geometry to six equivalent Ba and three equivalent Cd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ba(CdGe)2 by Materials Project

Ba(CdGe)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 Cd and eight equivalent Ge atoms. All Ba–Cd bond lengths are 3.75 Å. All Ba–Ge bond lengths are 3.61 Å. Cd is bonded to four equivalent Ba and four equivalent Ge atoms to form a mixture of distorted face, edge, and corner-sharing CdBa4Ge4 tetrahedra. All Cd–Ge bond lengths are 2.87 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Ba, four equivalent Cd, and one Ge atom. The Ge–Ge bond length is 2.60 Å.

36 MATERIALS SCIENCE↗