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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on ThAs by Materials Project

ThAs is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Th is bonded to six equivalent As atoms to form a mixture of edge and corner-sharing ThAs6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Th–As bond lengths are 3.01 Å. As is bonded to six equivalent Th atoms to form a mixture of edge and corner-sharing AsTh6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ThAs by Materials Project

ThAs is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Th is bonded in a body-centered cubic geometry to eight equivalent As atoms. All Th–As bond lengths are 3.16 Å. As is bonded in a body-centered cubic geometry to eight equivalent Th atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Th3As4 by Materials Project

Th3As4 crystallizes in the cubic I-43d space group. The structure is three-dimensional. Th4+ is bonded to eight equivalent As3- atoms to form a mixture of distorted face, edge, and corner-sharing ThAs8 hexagonal bipyramids. There are four shorter (3.04 Å) and four longer (3.12 Å) Th–As bond lengths. As3- is bonded to six equivalent Th4+ atoms to form a mixture of distorted face, edge, and corner-sharing AsTh6 octahedra. The corner-sharing octahedra tilt angles range from 15–51°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ThAs2 by Materials Project

ThAs2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Th4+ is bonded in a 9-coordinate geometry to nine As2- atoms. There are a spread of Th–As bond distances ranging from 2.99–3.17 Å. There are two inequivalent As2- sites. In the first As2- site, As2- is bonded in a 8-coordinate geometry to four equivalent Th4+ and four equivalent As2- atoms. All As–As bond lengths are 2.92 Å. In the second As2- site, As2- is bonded to five equivalent Th4+ atoms to form a mixture of distorted edge and corner-sharing AsTh5 trigonal bipyramids.

36 MATERIALS SCIENCE↗