Materials Data on CaAsAu by Materials Project
CaAuAs is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ca2+ is bonded to six equivalent Au1+ and six equivalent As3- atoms to form a mixture of edge and face-sharing CaAs6Au6 cuboctahedra. All Ca–Au bond lengths are 3.27 Å. All Ca–As bond lengths are 3.27 Å. Au1+ is bonded in a 3-coordinate geometry to six equivalent Ca2+ and three equivalent As3- atoms. All Au–As bond lengths are 2.57 Å. As3- is bonded in a 3-coordinate geometry to six equivalent Ca2+ and three equivalent Au1+ atoms.
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