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DOE OSTI2020

Materials Data on CdGeP2 by Materials Project

CdGeP2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cd2+ is bonded in a body-centered cubic geometry to eight equivalent P3- atoms. All Cd–P bond lengths are 2.89 Å. Ge4+ is bonded in a body-centered cubic geometry to eight equivalent P3- atoms. All Ge–P bond lengths are 2.89 Å. P3- is bonded in a body-centered cubic geometry to four equivalent Cd2+ and four equivalent Ge4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CdGeP2 by Materials Project

CdGeP2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Cd2+ is bonded to four equivalent P3- atoms to form CdP4 tetrahedra that share corners with four equivalent CdP4 tetrahedra and corners with eight equivalent GeP4 tetrahedra. All Cd–P bond lengths are 2.59 Å. Ge4+ is bonded to four equivalent P3- atoms to form GeP4 tetrahedra that share corners with four equivalent GeP4 tetrahedra and corners with eight equivalent CdP4 tetrahedra. All Ge–P bond lengths are 2.36 Å. P3- is bonded to two equivalent Cd2+ and two equivalent Ge4+ atoms to form corner-sharing PCd2Ge2 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CdGeP2 by Materials Project

CdGeP2 is Lavarevi\'{c}ite-like structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. Cd2+ is bonded to four P3- atoms to form CdP4 tetrahedra that share corners with six equivalent CdP4 tetrahedra and corners with six equivalent GeP4 tetrahedra. There are three shorter (2.49 Å) and one longer (2.62 Å) Cd–P bond lengths. Ge4+ is bonded to four P3- atoms to form GeP4 tetrahedra that share corners with six equivalent CdP4 tetrahedra and corners with six equivalent GeP4 tetrahedra. There are one shorter (2.26 Å) and three longer (2.52 Å) Ge–P bond lengths. There are two inequivalent P3- sites. In the first P3- site, P3- is bonded to one Cd2+ and three equivalent Ge4+ atoms to form corner-sharing PCdGe3 tetrahedra. In the second P3- site, P3- is bonded to three equivalent Cd2+ and one Ge4+ atom to form corner-sharing PCd3Ge tetrahedra.

36 MATERIALS SCIENCE↗