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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

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↗
DOE OSTI2020

Materials Data on Ca2PAu by Materials Project

Ca2AuP crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Ca2AuP ribbons oriented in the (1, 0, 0) direction. Ca2+ is bonded in a linear geometry to one Au1- and one P3- atom. The Ca–Au bond length is 2.91 Å. The Ca–P bond length is 2.49 Å. Au1- is bonded in a linear geometry to two equivalent Ca2+ atoms. P3- is bonded in a linear geometry to two equivalent Ca2+ atoms.

36 MATERIALS SCIENCE↗