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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Re3As7 by Materials Project

Re3As7 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Re+4.33+ is bonded in a 8-coordinate geometry to eight As+1.86- atoms. There are four shorter (2.59 Å) and four longer (2.63 Å) Re–As bond lengths. There are two inequivalent As+1.86- sites. In the first As+1.86- site, As+1.86- is bonded in a 4-coordinate geometry to three equivalent Re+4.33+ and one As+1.86- atom. The As–As bond length is 2.58 Å. In the second As+1.86- site, As+1.86- is bonded in a 8-coordinate geometry to four equivalent Re+4.33+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ReAs3 by Materials Project

ReAs3 is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Re3+ sites. In the first Re3+ site, Re3+ is bonded in a distorted body-centered cubic geometry to fourteen As1- atoms. There are a spread of Re–As bond distances ranging from 2.78–3.28 Å. In the second Re3+ site, Re3+ is bonded in a distorted body-centered cubic geometry to fourteen As1- atoms. There are a spread of Re–As bond distances ranging from 2.78–3.28 Å. There are three inequivalent As1- sites. In the first As1- site, As1- is bonded in a distorted body-centered cubic geometry to four Re3+ and four As1- atoms. All As–As bond lengths are 2.78 Å. In the second As1- site, As1- is bonded in a 12-coordinate geometry to six Re3+ and eight equivalent As1- atoms. In the third As1- site, As1- is bonded in a 12-coordinate geometry to six Re3+ and eight equivalent As1- atoms.

36 MATERIALS SCIENCE↗