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DOE OSTI2020

Materials Data on SmAsS by Materials Project

SmAsS is Matlockite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sm3+ is bonded in a 5-coordinate geometry to four equivalent As1- and five equivalent S2- atoms. There are a spread of Sm–As bond distances ranging from 3.13–3.26 Å. There are a spread of Sm–S bond distances ranging from 2.84–2.91 Å. As1- is bonded in a 8-coordinate geometry to four equivalent Sm3+ and four equivalent As1- atoms. There are two shorter (2.59 Å) and two longer (2.95 Å) As–As bond lengths. S2- is bonded to five equivalent Sm3+ atoms to form a mixture of distorted edge and corner-sharing SSm5 trigonal bipyramids.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on SmAsS by Materials Project

SmAsS crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sm3+ is bonded in a 9-coordinate geometry to four equivalent As1- and five equivalent S2- atoms. There are a spread of Sm–As bond distances ranging from 3.12–3.26 Å. There are a spread of Sm–S bond distances ranging from 2.85–2.92 Å. As1- is bonded in a 8-coordinate geometry to four equivalent Sm3+ and four equivalent As1- atoms. There are two shorter (2.58 Å) and two longer (2.96 Å) As–As bond lengths. S2- is bonded to five equivalent Sm3+ atoms to form a mixture of distorted edge and corner-sharing SSm5 trigonal bipyramids.

36 MATERIALS SCIENCE↗