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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on NaGeAu3 by Materials Project

NaAu3Ge crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Na1+ is bonded in a 12-coordinate geometry to twelve equivalent Au1- atoms. There are a spread of Na–Au bond distances ranging from 3.13–3.40 Å. Au1- is bonded in a 12-coordinate geometry to four equivalent Na1+, six equivalent Au1-, and two equivalent Ge2+ atoms. There are a spread of Au–Au bond distances ranging from 2.93–3.12 Å. There are one shorter (2.57 Å) and one longer (2.71 Å) Au–Ge bond lengths. Ge2+ is bonded in a 6-coordinate geometry to six equivalent Au1- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NaGeAu by Materials Project

NaAuGe crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded in a 6-coordinate geometry to six equivalent Au and six equivalent Ge atoms. There are two shorter (3.06 Å) and four longer (3.18 Å) Na–Au bond lengths. There are two shorter (3.28 Å) and four longer (3.38 Å) Na–Ge bond lengths. In the second Na site, Na is bonded in a 12-coordinate geometry to six equivalent Au and six equivalent Ge atoms. There are four shorter (3.23 Å) and two longer (3.44 Å) Na–Au bond lengths. There are four shorter (3.14 Å) and two longer (3.15 Å) Na–Ge bond lengths. Au is bonded in a 10-coordinate geometry to six Na, one Au, and three equivalent Ge atoms. The Au–Au bond length is 2.99 Å. All Au–Ge bond lengths are 2.63 Å. Ge is bonded in a 10-coordinate geometry to six Na, three equivalent Au, and one Ge atom. The Ge–Ge bond length is 2.59 Å.

36 MATERIALS SCIENCE↗