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DOE OSTI2020

Materials Data on PrAsSe by Materials Project

PrAsSe crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Pr3+ is bonded in a 9-coordinate geometry to four equivalent As1- and five equivalent Se2- atoms. There are a spread of Pr–As bond distances ranging from 3.16–3.31 Å. There are a spread of Pr–Se bond distances ranging from 2.99–3.17 Å. As1- is bonded in a 6-coordinate geometry to four equivalent Pr3+ and two equivalent As1- atoms. There are one shorter (2.59 Å) and one longer (2.61 Å) As–As bond lengths. Se2- is bonded in a 5-coordinate geometry to five equivalent Pr3+ atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on PrAsSe by Materials Project

PrAsSe is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Pr3+ is bonded in a 9-coordinate geometry to four equivalent As1- and five equivalent Se2- atoms. All Pr–As bond lengths are 3.24 Å. There are four shorter (2.99 Å) and one longer (3.19 Å) Pr–Se bond lengths. As1- is bonded in a 8-coordinate geometry to four equivalent Pr3+ and four equivalent As1- atoms. All As–As bond lengths are 2.85 Å. Se2- is bonded in a 5-coordinate geometry to five equivalent Pr3+ atoms.

36 MATERIALS SCIENCE↗