Materials Data on CaPAu by Materials Project
CaAuP 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 P3- atoms to form a mixture of edge and face-sharing CaP6Au6 cuboctahedra. All Ca–Au bond lengths are 3.19 Å. All Ca–P bond lengths are 3.19 Å. Au1+ is bonded in a 3-coordinate geometry to six equivalent Ca2+ and three equivalent P3- atoms. All Au–P bond lengths are 2.48 Å. P3- is bonded in a 3-coordinate geometry to six equivalent Ca2+ and three equivalent Au1+ atoms.
36 MATERIALS SCIENCE↗