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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on As3W2 by Materials Project

W2As3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent W+4.50+ sites. In the first W+4.50+ site, W+4.50+ is bonded to six As3- atoms to form a mixture of distorted face, edge, and corner-sharing WAs6 octahedra. The corner-sharing octahedra tilt angles range from 44–55°. There are a spread of W–As bond distances ranging from 2.55–2.63 Å. In the second W+4.50+ site, W+4.50+ is bonded to six As3- atoms to form a mixture of face, edge, and corner-sharing WAs6 octahedra. The corner-sharing octahedra tilt angles range from 44–55°. There are a spread of W–As bond distances ranging from 2.55–2.60 Å. There are three inequivalent As3- sites. In the first As3- site, As3- is bonded in a 5-coordinate geometry to four W+4.50+ and one As3- atom. The As–As bond length is 2.52 Å. In the second As3- site, As3- is bonded in a 4-coordinate geometry to four W+4.50+ atoms. In the third As3- site, As3- is bonded in a 5-coordinate geometry to four W+4.50+ and one As3- atom. The As–As bond length is 2.95 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on As3W by Materials Project

WAs3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. W3+ is bonded to twelve equivalent As1- atoms to form a mixture of face and corner-sharing WAs12 cuboctahedra. There are six shorter (2.77 Å) and six longer (3.04 Å) W–As bond lengths. As1- is bonded in a 10-coordinate geometry to four equivalent W3+ and six equivalent As1- atoms. There are two shorter (2.66 Å) and four longer (3.03 Å) As–As bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on As2W by Materials Project

WAs2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. W6+ is bonded in a 8-coordinate geometry to eight As3- atoms. There are a spread of W–As bond distances ranging from 2.61–2.79 Å. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded in a 5-coordinate geometry to five equivalent W6+ atoms. In the second As3- site, As3- is bonded in a 4-coordinate geometry to three equivalent W6+ and three equivalent As3- atoms. There are one shorter (2.46 Å) and two longer (2.76 Å) As–As bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on As3W by Materials Project

WAs3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. W3+ is bonded in a distorted body-centered cubic geometry to fourteen As1- atoms. There are eight shorter (2.80 Å) and six longer (3.23 Å) W–As bond lengths. There are two inequivalent As1- sites. In the first As1- site, As1- is bonded in a body-centered cubic geometry to four equivalent W3+ and four equivalent As1- atoms. All As–As bond lengths are 2.80 Å. In the second As1- site, As1- is bonded in a 8-coordinate geometry to six equivalent W3+ and eight equivalent As1- atoms.

36 MATERIALS SCIENCE↗