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At least 901 records · Page 50
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DOE OSTI2020

Materials Data on ThO by Materials Project

ThO 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 O atoms to form a mixture of edge and corner-sharing ThO6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Th–O bond lengths are 2.55 Å. O is bonded to six equivalent Th atoms to form a mixture of edge and corner-sharing OTh6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Th3S by Materials Project

Th3S is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Th is bonded in a distorted square co-planar geometry to four equivalent S atoms. All Th–S bond lengths are 3.35 Å. S is bonded to twelve equivalent Th atoms to form a mixture of corner and face-sharing STh12 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ThFe2 by Materials Project

ThFe2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Th is bonded in a 12-coordinate geometry to eight equivalent Fe atoms. All Th–Fe bond lengths are 2.90 Å. Fe is bonded to four equivalent Th and four equivalent Fe atoms to form a mixture of distorted edge, corner, and face-sharing FeTh4Fe4 hexagonal bipyramids. All Fe–Fe bond lengths are 2.51 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ThReO3 by Materials Project

ThReO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Th is bonded to twelve equivalent O atoms to form ThO12 cuboctahedra that share corners with twelve equivalent ThO12 cuboctahedra, faces with six equivalent ThO12 cuboctahedra, and faces with eight equivalent ReO6 octahedra. All Th–O bond lengths are 2.83 Å. Re is bonded to six equivalent O atoms to form ReO6 octahedra that share corners with six equivalent ReO6 octahedra and faces with eight equivalent ThO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Re–O bond lengths are 2.00 Å. O is bonded in a distorted linear geometry to four equivalent Th and two equivalent Re atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HfThTc2 by Materials Project

ThHfTc2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Th is bonded in a body-centered cubic geometry to eight equivalent Tc atoms. All Th–Tc bond lengths are 2.95 Å. Hf is bonded in a body-centered cubic geometry to eight equivalent Tc atoms. All Hf–Tc bond lengths are 2.95 Å. Tc is bonded in a body-centered cubic geometry to four equivalent Th and four equivalent Hf atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ThCo2 by Materials Project

ThCo2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Th is bonded to eight equivalent Co atoms to form distorted edge-sharing ThCo8 hexagonal bipyramids. All Th–Co bond lengths are 2.69 Å. Co is bonded in a 8-coordinate geometry to four equivalent Th and four equivalent Co atoms. All Co–Co bond lengths are 2.59 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K3Th by Materials Project

K3Th is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. K is bonded to eight equivalent K and four equivalent Th atoms to form distorted KK8Th4 cuboctahedra that share corners with twelve equivalent KK8Th4 cuboctahedra, edges with eight equivalent ThK12 cuboctahedra, edges with sixteen equivalent KK8Th4 cuboctahedra, faces with four equivalent ThK12 cuboctahedra, and faces with fourteen equivalent KK8Th4 cuboctahedra. All K–K bond lengths are 4.26 Å. All K–Th bond lengths are 4.26 Å. Th is bonded to twelve equivalent K atoms to form ThK12 cuboctahedra that share corners with twelve equivalent ThK12 cuboctahedra, edges with twenty-four equivalent KK8Th4 cuboctahedra, faces with six equivalent ThK12 cuboctahedra, and faces with twelve equivalent KK8Th4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Th2NiC2 by Materials Project

Th2NiC2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Th is bonded to five equivalent C atoms to form a mixture of corner and edge-sharing ThC5 square pyramids. There are one shorter (2.43 Å) and four longer (2.67 Å) Th–C bond lengths. Ni is bonded in a linear geometry to two equivalent C atoms. Both Ni–C bond lengths are 1.92 Å. C is bonded to five equivalent Th and one Ni atom to form a mixture of corner and edge-sharing CTh5Ni octahedra. The corner-sharing octahedra tilt angles range from 0–5°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ThPaTc2 by Materials Project

PaThTc2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pa is bonded in a body-centered cubic geometry to eight equivalent Tc atoms. All Pa–Tc bond lengths are 3.04 Å. Th is bonded in a body-centered cubic geometry to eight equivalent Tc atoms. All Th–Tc bond lengths are 3.04 Å. Tc is bonded in a body-centered cubic geometry to four equivalent Pa and four equivalent Th atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiThHg2 by Materials Project

LiThHg2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a body-centered cubic geometry to eight equivalent Hg atoms. All Li–Hg bond lengths are 3.17 Å. Th is bonded in a body-centered cubic geometry to eight equivalent Hg atoms. All Th–Hg bond lengths are 3.17 Å. Hg is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Th atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on DyThN2 by Materials Project

ThDyN2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Th is bonded to six equivalent N atoms to form ThN6 octahedra that share corners with six equivalent DyN6 octahedra, edges with six equivalent ThN6 octahedra, and edges with six equivalent DyN6 octahedra. The corner-sharing octahedral tilt angles are 1°. All Th–N bond lengths are 2.54 Å. Dy is bonded to six equivalent N atoms to form DyN6 octahedra that share corners with six equivalent ThN6 octahedra, edges with six equivalent ThN6 octahedra, and edges with six equivalent DyN6 octahedra. The corner-sharing octahedral tilt angles are 1°. All Dy–N bond lengths are 2.52 Å. N is bonded to three equivalent Th and three equivalent Dy atoms to form a mixture of edge and corner-sharing NDy3Th3 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ThIn by Materials Project

ThIn is Tetraauricupride structured and crystallizes in the orthorhombic Pmmm space group. The structure is three-dimensional. Th is bonded to eight equivalent In atoms to form a mixture of distorted edge, face, and corner-sharing ThIn8 cuboctahedra. All Th–In bond lengths are 3.40 Å. In is bonded in a distorted body-centered cubic geometry to eight equivalent Th atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GdThO3 by Materials Project

ThGdO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Th is bonded to six equivalent O atoms to form ThO6 octahedra that share corners with six equivalent ThO6 octahedra and faces with eight equivalent GdO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Th–O bond lengths are 2.29 Å. Gd is bonded to twelve equivalent O atoms to form GdO12 cuboctahedra that share corners with twelve equivalent GdO12 cuboctahedra, faces with six equivalent GdO12 cuboctahedra, and faces with eight equivalent ThO6 octahedra. All Gd–O bond lengths are 3.24 Å. O is bonded in a linear geometry to two equivalent Th and four equivalent Gd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ThHg by Materials Project

ThHg crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Th is bonded to six equivalent Hg atoms to form a mixture of distorted edge and corner-sharing ThHg6 cuboctahedra. All Th–Hg bond lengths are 3.37 Å. Hg is bonded in a distorted hexagonal planar geometry to six equivalent Th atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb3Th by Materials Project

Rb3Th is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Rb is bonded to eight equivalent Rb and four equivalent Th atoms to form distorted RbRb8Th4 cuboctahedra that share corners with twelve equivalent RbRb8Th4 cuboctahedra, edges with eight equivalent ThRb12 cuboctahedra, edges with sixteen equivalent RbRb8Th4 cuboctahedra, faces with four equivalent ThRb12 cuboctahedra, and faces with fourteen equivalent RbRb8Th4 cuboctahedra. All Rb–Rb bond lengths are 4.43 Å. All Rb–Th bond lengths are 4.43 Å. Th is bonded to twelve equivalent Rb atoms to form ThRb12 cuboctahedra that share corners with twelve equivalent ThRb12 cuboctahedra, edges with twenty-four equivalent RbRb8Th4 cuboctahedra, faces with six equivalent ThRb12 cuboctahedra, and faces with twelve equivalent RbRb8Th4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on DyThRu2 by Materials Project

ThDyRu2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Th is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. All Th–Ru bond lengths are 3.01 Å. Dy is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. All Dy–Ru bond lengths are 3.01 Å. Ru is bonded in a body-centered cubic geometry to four equivalent Th and four equivalent Dy atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ThGeO2 by Materials Project

ThO2Ge crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional and consists of eight germanium molecules and one ThO2 framework. In the ThO2 framework, Th is bonded to six equivalent O atoms to form distorted edge-sharing ThO6 octahedra. There are a spread of Th–O bond distances ranging from 2.35–2.41 Å. O is bonded in a distorted trigonal non-coplanar geometry to three equivalent Th atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ThAg3 by Materials Project

ThAg3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Th is bonded to twelve equivalent Ag atoms to form a mixture of corner and face-sharing ThAg12 cuboctahedra. There are six shorter (3.20 Å) and six longer (3.29 Å) Th–Ag bond lengths. Ag is bonded in a 4-coordinate geometry to four equivalent Th and six equivalent Ag atoms. All Ag–Ag bond lengths are 2.98 Å.

36 MATERIALS SCIENCE↗