Materials Data on BaAsAu by Materials Project
BaAuAs is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ba2+ is bonded to six equivalent Au1+ and six equivalent As3- atoms to form a mixture of edge and face-sharing BaAs6Au6 cuboctahedra. All Ba–Au bond lengths are 3.53 Å. All Ba–As bond lengths are 3.53 Å. Au1+ is bonded in a 3-coordinate geometry to six equivalent Ba2+ and three equivalent As3- atoms. All Au–As bond lengths are 2.67 Å. As3- is bonded in a 3-coordinate geometry to six equivalent Ba2+ and three equivalent Au1+ atoms.
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