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6 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on ThGe2 by Materials Project

ThGe2 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Th is bonded to twelve equivalent Ge atoms to form a mixture of distorted edge and face-sharing ThGe12 cuboctahedra. There are eight shorter (3.18 Å) and four longer (3.51 Å) Th–Ge bond lengths. Ge is bonded in a 9-coordinate geometry to six equivalent Th and three equivalent Ge atoms. There are two shorter (2.54 Å) and one longer (2.69 Å) Ge–Ge bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ThGe by Materials Project

ThGe 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 Ge atoms to form a mixture of edge and corner-sharing ThGe6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Th–Ge bond lengths are 3.04 Å. Ge is bonded to six equivalent Th atoms to form a mixture of edge and corner-sharing GeTh6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Th2Ge by Materials Project

Th2Ge is Khatyrkite structured and crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Th is bonded in a 4-coordinate geometry to four equivalent Ge atoms. All Th–Ge bond lengths are 3.16 Å. Ge is bonded in a 10-coordinate geometry to eight equivalent Th atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ThGe2 by Materials Project

ThGe2 is Zirconium Disilicide-like structured and crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Th is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Th–Ge bond distances ranging from 3.07–3.39 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to six equivalent Th and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.61 Å. In the second Ge site, Ge is bonded in a distorted body-centered cubic geometry to four equivalent Th and four equivalent Ge atoms. All Ge–Ge bond lengths are 2.92 Å. In the third Ge site, Ge is bonded in a 8-coordinate geometry to four equivalent Th and four equivalent Ge atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ThGe2 by Materials Project

ThGe2 is Zirconium Disilicide structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Th is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Th–Ge bond distances ranging from 3.07–3.37 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to six equivalent Th and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.61 Å. In the second Ge site, Ge is bonded in a 8-coordinate geometry to four equivalent Th and four equivalent Ge atoms. All Ge–Ge bond lengths are 2.90 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Th3Ge2 by Materials Project

Th3Ge2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are two inequivalent Th sites. In the first Th site, Th is bonded in a 6-coordinate geometry to six equivalent Ge atoms. There are two shorter (3.09 Å) and four longer (3.19 Å) Th–Ge bond lengths. In the second Th site, Th is bonded in a square co-planar geometry to four equivalent Ge atoms. All Th–Ge bond lengths are 3.19 Å. Ge is bonded in a 9-coordinate geometry to eight Th and one Ge atom. The Ge–Ge bond length is 2.74 Å.

36 MATERIALS SCIENCE↗