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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↗