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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on PaAs2 by Materials Project

PaAs2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Pa5+ is bonded in a 9-coordinate geometry to nine As+2.50- atoms. There are a spread of Pa–As bond distances ranging from 2.91–3.05 Å. There are two inequivalent As+2.50- sites. In the first As+2.50- site, As+2.50- is bonded to five equivalent Pa5+ atoms to form a mixture of distorted corner and edge-sharing AsPa5 square pyramids. In the second As+2.50- site, As+2.50- is bonded in a 8-coordinate geometry to four equivalent Pa5+ and four equivalent As+2.50- atoms. All As–As bond lengths are 2.84 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PaAs by Materials Project

PaAs is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pa3+ is bonded to six equivalent As3- atoms to form a mixture of corner and edge-sharing PaAs6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Pa–As bond lengths are 2.90 Å. As3- is bonded to six equivalent Pa3+ atoms to form a mixture of corner and edge-sharing AsPa6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pa3As4 by Materials Project

Pa3As4 crystallizes in the cubic I-43d space group. The structure is three-dimensional. Pa4+ is bonded to eight equivalent As3- atoms to form a mixture of distorted edge, face, and corner-sharing PaAs8 hexagonal bipyramids. There are four shorter (2.93 Å) and four longer (3.01 Å) Pa–As bond lengths. As3- is bonded to six equivalent Pa4+ atoms to form a mixture of distorted edge, face, and corner-sharing AsPa6 octahedra. The corner-sharing octahedra tilt angles range from 15–51°.

36 MATERIALS SCIENCE↗