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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on AgAsS by Materials Project

AgAsS crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ag3+ is bonded to one As1- and three equivalent S2- atoms to form AgAsS3 tetrahedra that share a cornercorner with one SAg3As tetrahedra and corners with six equivalent AgAsS3 tetrahedra. The Ag–As bond length is 2.63 Å. There are one shorter (2.55 Å) and two longer (2.57 Å) Ag–S bond lengths. As1- is bonded in a 4-coordinate geometry to one Ag3+, two equivalent As1-, and one S2- atom. Both As–As bond lengths are 2.59 Å. The As–S bond length is 2.25 Å. S2- is bonded to three equivalent Ag3+ and one As1- atom to form SAg3As tetrahedra that share a cornercorner with one AgAsS3 tetrahedra and corners with six equivalent SAg3As tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AgAsSe by Materials Project

AsSeAg crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Ag3+ is bonded to one As1- and three equivalent Se2- atoms to form AgAsSe3 tetrahedra that share a cornercorner with one SeAg3As tetrahedra, corners with five equivalent AsAgAs2Se tetrahedra, and corners with six equivalent AgAsSe3 tetrahedra. The Ag–As bond length is 2.61 Å. All Ag–Se bond lengths are 2.67 Å. As1- is bonded to one Ag3+, two equivalent As1-, and one Se2- atom to form distorted AsAgAs2Se tetrahedra that share corners with two equivalent AsAgAs2Se tetrahedra, corners with five equivalent AgAsSe3 tetrahedra, and corners with five equivalent SeAg3As tetrahedra. Both As–As bond lengths are 2.60 Å. The As–Se bond length is 2.40 Å. Se2- is bonded to three equivalent Ag3+ and one As1- atom to form SeAg3As tetrahedra that share a cornercorner with one AgAsSe3 tetrahedra, corners with five equivalent AsAgAs2Se tetrahedra, and corners with six equivalent SeAg3As tetrahedra.

36 MATERIALS SCIENCE↗