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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↗