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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on PrAs by Materials Project

PrAs is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pr3+ is bonded to six equivalent As3- atoms to form a mixture of corner and edge-sharing PrAs6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Pr–As bond lengths are 3.05 Å. As3- is bonded to six equivalent Pr3+ atoms to form a mixture of corner and edge-sharing AsPr6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr4As3 by Materials Project

Pr4As3 crystallizes in the cubic I-43d space group. The structure is three-dimensional. Pr is bonded in a 6-coordinate geometry to six equivalent As atoms. There are three shorter (3.00 Å) and three longer (3.33 Å) Pr–As bond lengths. As is bonded in a 8-coordinate geometry to eight equivalent Pr atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrAs3 by Materials Project

PrAs3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pr3+ is bonded to twelve equivalent As1- atoms to form a mixture of corner and face-sharing PrAs12 cuboctahedra. All Pr–As bond lengths are 3.16 Å. As1- is bonded in a square co-planar geometry to four equivalent Pr3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrAs by Materials Project

PrAs is Tetraauricupride structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Pr3+ is bonded in a body-centered cubic geometry to eight equivalent As3- atoms. All Pr–As bond lengths are 3.22 Å. As3- is bonded in a body-centered cubic geometry to eight equivalent Pr3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrAs2 by Materials Project

PrAs2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Pr3+ is bonded in a 9-coordinate geometry to nine As+1.50- atoms. There are a spread of Pr–As bond distances ranging from 3.04–3.25 Å. There are two inequivalent As+1.50- sites. In the first As+1.50- site, As+1.50- is bonded to five equivalent Pr3+ and one As+1.50- atom to form a mixture of distorted edge and corner-sharing AsPr5As pentagonal pyramids. The As–As bond length is 2.52 Å. In the second As+1.50- site, As+1.50- is bonded in a 6-coordinate geometry to four equivalent Pr3+ and two As+1.50- atoms. The As–As bond length is 2.55 Å.

36 MATERIALS SCIENCE↗