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DOE OSTI2020

Materials Data on NdAsSe by Materials Project

NdAsSe is Matlockite structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Nd3+ is bonded in a 9-coordinate geometry to four equivalent As1- and five equivalent Se2- atoms. There are two shorter (3.18 Å) and two longer (3.30 Å) Nd–As bond lengths. There are a spread of Nd–Se bond distances ranging from 2.96–3.14 Å. As1- is bonded in a 7-coordinate geometry to four equivalent Nd3+ and three equivalent As1- atoms. There are one shorter (2.52 Å) and two longer (2.87 Å) As–As bond lengths. Se2- is bonded in a 5-coordinate geometry to five equivalent Nd3+ atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on NdAsS by Materials Project

NdAsS crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Nd3+ is bonded in a 9-coordinate geometry to four equivalent As1- and five equivalent S2- atoms. There are a spread of Nd–As bond distances ranging from 3.19–3.28 Å. There are a spread of Nd–S bond distances ranging from 2.88–2.96 Å. As1- is bonded in a 8-coordinate geometry to four equivalent Nd3+ and four equivalent As1- atoms. There are a spread of As–As bond distances ranging from 2.56–3.05 Å. S2- is bonded to five equivalent Nd3+ atoms to form a mixture of distorted edge and corner-sharing SNd5 trigonal bipyramids.

36 MATERIALS SCIENCE↗