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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on SmAs by Materials Project

AsSm is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sm3+ is bonded to six equivalent As3- atoms to form a mixture of corner and edge-sharing SmAs6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Sm–As bond lengths are 2.98 Å. As3- is bonded to six equivalent Sm3+ atoms to form a mixture of corner and edge-sharing AsSm6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SmAs3 by Materials Project

SmAs3 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sm3+ is bonded to twelve As1- atoms to form a mixture of edge, face, and corner-sharing SmAs12 cuboctahedra. There are four shorter (2.93 Å) and eight longer (3.26 Å) Sm–As bond lengths. There are two inequivalent As1- sites. In the first As1- site, As1- is bonded in a 8-coordinate geometry to four equivalent Sm3+ and four equivalent As1- atoms. All As–As bond lengths are 2.93 Å. In the second As1- site, As1- is bonded in a square co-planar geometry to four equivalent Sm3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SmAs by Materials Project

AsSm is Tetraauricupride structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Sm3+ is bonded in a body-centered cubic geometry to eight equivalent As3- atoms. All Sm–As bond lengths are 3.16 Å. As3- is bonded in a body-centered cubic geometry to eight equivalent Sm3+ atoms.

36 MATERIALS SCIENCE↗