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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Th(SiRh)2 by Materials Project

Th(RhSi)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Th is bonded in a 8-coordinate geometry to eight equivalent Rh and eight equivalent Si atoms. All Th–Rh bond lengths are 3.28 Å. All Th–Si bond lengths are 3.17 Å. Rh is bonded to four equivalent Th and four equivalent Si atoms to form a mixture of distorted corner, edge, and face-sharing RhTh4Si4 tetrahedra. All Rh–Si bond lengths are 2.44 Å. Si is bonded in a 9-coordinate geometry to four equivalent Th, four equivalent Rh, and one Si atom. The Si–Si bond length is 2.46 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ThSiRh by Materials Project

ThRhSi is hexagonal omega structure-derived structured and crystallizes in the tetragonal I4_1md space group. The structure is three-dimensional. Th is bonded to six equivalent Rh and six equivalent Si atoms to form a mixture of edge and face-sharing ThSi6Rh6 cuboctahedra. There are two shorter (3.13 Å) and four longer (3.21 Å) Th–Rh bond lengths. There are four shorter (3.16 Å) and two longer (3.23 Å) Th–Si bond lengths. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 3-coordinate geometry to six equivalent Th and three equivalent Si atoms. There are two shorter (2.40 Å) and one longer (2.42 Å) Rh–Si bond lengths. In the second Rh site, Rh is bonded in a 3-coordinate geometry to six equivalent Th and three equivalent Si atoms. There are two shorter (3.13 Å) and four longer (3.21 Å) Rh–Th bond lengths. There are two shorter (2.40 Å) and one longer (2.42 Å) Rh–Si bond lengths. Si is bonded in a distorted trigonal planar geometry to six equivalent Th and three equivalent Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Th2Si3Rh by Materials Project

Th2RhSi3 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. there are two inequivalent Th4+ sites. In the first Th4+ site, Th4+ is bonded in a 8-coordinate geometry to eight Si4- atoms. There are six shorter (3.15 Å) and two longer (3.17 Å) Th–Si bond lengths. In the second Th4+ site, Th4+ is bonded in a 10-coordinate geometry to ten Si4- atoms. There are a spread of Th–Si bond distances ranging from 3.17–3.21 Å. Rh4+ is bonded in a trigonal planar geometry to three Si4- atoms. There are one shorter (2.37 Å) and two longer (2.42 Å) Rh–Si bond lengths. There are three inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 2-coordinate geometry to six Th4+, two equivalent Rh4+, and one Si4- atom. The Si–Si bond length is 2.37 Å. In the second Si4- site, Si4- is bonded in a distorted single-bond geometry to six Th4+, one Rh4+, and two equivalent Si4- atoms. Both Si–Si bond lengths are 2.38 Å. In the third Si4- site, Si4- is bonded in a 9-coordinate geometry to six Th4+ and three Si4- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ThSi3Rh by Materials Project

ThRhSi3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Th is bonded in a 12-coordinate geometry to five equivalent Rh and twelve Si atoms. There are one shorter (3.33 Å) and four longer (3.39 Å) Th–Rh bond lengths. There are a spread of Th–Si bond distances ranging from 3.13–3.35 Å. Rh is bonded in a 5-coordinate geometry to five equivalent Th and five Si atoms. There are one shorter (2.38 Å) and four longer (2.39 Å) Rh–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a distorted single-bond geometry to four equivalent Th and one Rh atom. In the second Si site, Si is bonded in a distorted bent 120 degrees geometry to four equivalent Th and two equivalent Rh atoms.

36 MATERIALS SCIENCE↗