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At least 775 records · Page 43
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DOE OSTI2020

Materials Data on Tb3Th by Materials Project

ThTb3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Th is bonded to twelve equivalent Tb atoms to form ThTb12 cuboctahedra that share corners with six equivalent ThTb12 cuboctahedra, corners with twelve equivalent TbTb8Th4 cuboctahedra, edges with eighteen equivalent TbTb8Th4 cuboctahedra, faces with eight equivalent ThTb12 cuboctahedra, and faces with twelve equivalent TbTb8Th4 cuboctahedra. There are six shorter (3.57 Å) and six longer (3.58 Å) Th–Tb bond lengths. Tb is bonded to four equivalent Th and eight equivalent Tb atoms to form TbTb8Th4 cuboctahedra that share corners with four equivalent ThTb12 cuboctahedra, corners with fourteen equivalent TbTb8Th4 cuboctahedra, edges with six equivalent ThTb12 cuboctahedra, edges with twelve equivalent TbTb8Th4 cuboctahedra, faces with four equivalent ThTb12 cuboctahedra, and faces with sixteen equivalent TbTb8Th4 cuboctahedra. There are a spread of Tb–Tb bond distances ranging from 3.56–3.59 Å.

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DOE OSTI2020

Materials Data on ThBO3 by Materials Project

ThBO3 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 BO6 octahedra. All Th–O bond lengths are 2.60 Å. B is bonded to six equivalent O atoms to form BO6 octahedra that share corners with six equivalent BO6 octahedra and faces with eight equivalent ThO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All B–O bond lengths are 1.84 Å. O is bonded to four equivalent Th and two equivalent B atoms to form a mixture of distorted corner, edge, and face-sharing OTh4B2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.

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DOE OSTI2020

Materials Data on ThCl by Materials Project

ThCl crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Th is bonded in a 4-coordinate geometry to four equivalent Cl atoms. There are one shorter (2.89 Å) and three longer (3.00 Å) Th–Cl bond lengths. Cl is bonded in a 4-coordinate geometry to four equivalent Th atoms.

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DOE OSTI2020

Materials Data on ThUBe26 by Materials Project

Be26UTh crystallizes in the cubic F432 space group. The structure is three-dimensional. there are two inequivalent Be sites. In the first Be site, Be is bonded to ten Be, one U, and one Th atom to form a mixture of distorted edge, face, and corner-sharing BeThUBe10 cuboctahedra. There are a spread of Be–Be bond distances ranging from 2.15–2.35 Å. The Be–U bond length is 2.99 Å. The Be–Th bond length is 3.03 Å. In the second Be site, Be is bonded to twelve equivalent Be atoms to form a mixture of face and corner-sharing BeBe12 cuboctahedra. U is bonded in a 1-coordinate geometry to twenty-four equivalent Be atoms. Th is bonded in a 1-coordinate geometry to twenty-four equivalent Be atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HoThRu2 by Materials Project

ThHoRu2 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. Ho is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. All Ho–Ru bond lengths are 3.01 Å. Ru is bonded in a body-centered cubic geometry to four equivalent Th and four equivalent Ho atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Th3Pb by Materials Project

Th3Pb 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 Pb atoms. All Th–Pb bond lengths are 3.53 Å. Pb is bonded to twelve equivalent Th atoms to form a mixture of face and corner-sharing PbTh12 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ba3Th by Materials Project

Ba3Th is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ba is bonded to eight equivalent Ba and four equivalent Th atoms to form distorted BaBa8Th4 cuboctahedra that share corners with four equivalent ThBa12 cuboctahedra, corners with fourteen equivalent BaBa8Th4 cuboctahedra, edges with six equivalent ThBa12 cuboctahedra, edges with twelve equivalent BaBa8Th4 cuboctahedra, faces with four equivalent ThBa12 cuboctahedra, and faces with sixteen equivalent BaBa8Th4 cuboctahedra. There are a spread of Ba–Ba bond distances ranging from 3.99–4.45 Å. There are two shorter (3.99 Å) and two longer (4.22 Å) Ba–Th bond lengths. Th is bonded to twelve equivalent Ba atoms to form ThBa12 cuboctahedra that share corners with six equivalent ThBa12 cuboctahedra, corners with twelve equivalent BaBa8Th4 cuboctahedra, edges with eighteen equivalent BaBa8Th4 cuboctahedra, faces with eight equivalent ThBa12 cuboctahedra, and faces with twelve equivalent BaBa8Th4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ThMgRh2 by Materials Project

MgThRh2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg is bonded in a body-centered cubic geometry to eight equivalent Rh atoms. All Mg–Rh bond lengths are 2.94 Å. Th is bonded in a body-centered cubic geometry to eight equivalent Rh atoms. All Th–Rh bond lengths are 2.94 Å. Rh is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent Th atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ThBiAu2 by Materials Project

ThAu2Bi 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 Au atoms. All Th–Au bond lengths are 3.18 Å. Au is bonded in a body-centered cubic geometry to four equivalent Th and four equivalent Bi atoms. All Au–Bi bond lengths are 3.18 Å. Bi is bonded in a distorted body-centered cubic geometry to eight equivalent Au atoms.

36 MATERIALS SCIENCE↗
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Materials Data on Th3Se by Materials Project

Th3Se is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Th is bonded in a distorted see-saw-like geometry to four equivalent Se atoms. There are two shorter (3.40 Å) and two longer (3.43 Å) Th–Se bond lengths. Se is bonded to twelve equivalent Th atoms to form a mixture of face and corner-sharing SeTh12 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GdThRu2 by Materials Project

ThGdRu2 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 3.02 Å. Gd is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. All Gd–Ru bond lengths are 3.02 Å. Ru is bonded in a body-centered cubic geometry to four equivalent Th and four equivalent Gd atoms.

36 MATERIALS SCIENCE↗
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Materials Data on ThUS2 by Materials Project

UThS2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. U is bonded to six equivalent S atoms to form US6 octahedra that share corners with six equivalent ThS6 octahedra, edges with six equivalent US6 octahedra, and edges with six equivalent ThS6 octahedra. The corner-sharing octahedral tilt angles are 3°. All U–S bond lengths are 2.75 Å. Th is bonded to six equivalent S atoms to form ThS6 octahedra that share corners with six equivalent US6 octahedra, edges with six equivalent US6 octahedra, and edges with six equivalent ThS6 octahedra. The corner-sharing octahedral tilt angles are 3°. All Th–S bond lengths are 2.85 Å. S is bonded to three equivalent U and three equivalent Th atoms to form a mixture of corner and edge-sharing STh3U3 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HoThOs2 by Materials Project

ThHoOs2 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 Os atoms. All Th–Os bond lengths are 3.02 Å. Ho is bonded in a body-centered cubic geometry to eight equivalent Os atoms. All Ho–Os bond lengths are 3.02 Å. Os is bonded in a body-centered cubic geometry to four equivalent Th and four equivalent Ho atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ThMgAu2 by Materials Project

MgThAu2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg is bonded in a body-centered cubic geometry to eight equivalent Au atoms. All Mg–Au bond lengths are 3.09 Å. Th is bonded in a body-centered cubic geometry to eight equivalent Au atoms. All Th–Au bond lengths are 3.09 Å. Au is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent Th atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ThCdCu2 by Materials Project

ThCu2Cd 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 Cu atoms. All Th–Cu bond lengths are 2.95 Å. Cu is bonded in a body-centered cubic geometry to four equivalent Th and four equivalent Cd atoms. All Cu–Cd bond lengths are 2.95 Å. Cd is bonded in a distorted body-centered cubic geometry to eight equivalent Cu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Th2SbNO by Materials Project

Th2SbNO crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. Th4+ is bonded in a 4-coordinate geometry to four equivalent Sb3-, two equivalent N3-, and two equivalent O2- atoms. All Th–Sb bond lengths are 3.50 Å. Both Th–N bond lengths are 2.37 Å. Both Th–O bond lengths are 2.37 Å. Sb3- is bonded in a body-centered cubic geometry to eight equivalent Th4+ atoms. N3- is bonded to four equivalent Th4+ atoms to form NTh4 tetrahedra that share corners with four equivalent NTh4 tetrahedra and edges with four equivalent OTh4 tetrahedra. O2- is bonded to four equivalent Th4+ atoms to form OTh4 tetrahedra that share corners with four equivalent OTh4 tetrahedra and edges with four equivalent NTh4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Th2PS2 by Materials Project

(ThS)2P crystallizes in the tetragonal P4/mmm space group. The structure is zero-dimensional and consists of one phosphine molecule and two ThS clusters. In each ThS cluster, Th is bonded in a single-bond geometry to one S atom. The Th–S bond length is 2.33 Å. S is bonded in a single-bond geometry to one Th atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ThBr2 by Materials Project

ThBr2 crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. Th is bonded in a square co-planar geometry to four equivalent Br atoms. There are two shorter (2.90 Å) and two longer (2.94 Å) Th–Br bond lengths. Br is bonded in a water-like geometry to two equivalent Th atoms.

36 MATERIALS SCIENCE↗