Materials Data on BaPAu by Materials Project
BaAuP 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 P3- atoms to form a mixture of face and edge-sharing BaP6Au6 cuboctahedra. All Ba–Au bond lengths are 3.45 Å. All Ba–P bond lengths are 3.45 Å. Au1+ is bonded in a 3-coordinate geometry to six equivalent Ba2+ and three equivalent P3- atoms. All Au–P bond lengths are 2.58 Å. P3- is bonded in a 3-coordinate geometry to six equivalent Ba2+ and three equivalent Au1+ atoms.
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