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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on PrHSe by Materials Project

PrHSe crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pr3+ is bonded in a distorted trigonal planar geometry to three equivalent H1- and six equivalent Se2- atoms. All Pr–H bond lengths are 2.35 Å. All Pr–Se bond lengths are 3.09 Å. H1- is bonded in a trigonal planar geometry to three equivalent Pr3+ atoms. Se2- is bonded to six equivalent Pr3+ atoms to form a mixture of edge, face, and corner-sharing SePr6 octahedra. The corner-sharing octahedral tilt angles are 45°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PRhSe by Materials Project

RhPSe is Spinel-like structured and crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Rh3+ is bonded to three equivalent P1- and three equivalent Se2- atoms to form RhP3Se3 octahedra that share corners with twelve equivalent RhP3Se3 octahedra, corners with three equivalent PRh3Se tetrahedra, and corners with three equivalent SePRh3 tetrahedra. The corner-sharing octahedra tilt angles range from 64–65°. All Rh–P bond lengths are 2.38 Å. All Rh–Se bond lengths are 2.53 Å. P1- is bonded to three equivalent Rh3+ and one Se2- atom to form PRh3Se tetrahedra that share corners with three equivalent RhP3Se3 octahedra, corners with six equivalent PRh3Se tetrahedra, and corners with nine equivalent SePRh3 tetrahedra. The corner-sharing octahedral tilt angles are 77°. The P–Se bond length is 2.34 Å. Se2- is bonded to three equivalent Rh3+ and one P1- atom to form SePRh3 tetrahedra that share corners with three equivalent RhP3Se3 octahedra, corners with six equivalent SePRh3 tetrahedra, and corners with nine equivalent PRh3Se tetrahedra. The corner-sharing octahedral tilt angles are 78°.

36 MATERIALS SCIENCE↗