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At least 721 records · Page 40
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DOE OSTI2020

Materials Data on ThCdAu2 by Materials Project

ThAu2Cd 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 3.10 Å. Au is bonded in a body-centered cubic geometry to four equivalent Th and four equivalent Cd atoms. All Au–Cd bond lengths are 3.10 Å. Cd is bonded in a body-centered cubic geometry to eight equivalent Au atoms.

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Materials Data on ThCdAg2 by Materials Project

ThAg2Cd 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 Ag atoms. All Th–Ag bond lengths are 3.11 Å. Ag is bonded in a body-centered cubic geometry to four equivalent Th and four equivalent Cd atoms. All Ag–Cd bond lengths are 3.11 Å. Cd is bonded in a distorted body-centered cubic geometry to eight equivalent Ag atoms.

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Materials Data on Rb3Th by Materials Project

Rb3Th is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Rb sites. In the first Rb site, Rb is bonded to four equivalent Rb and four equivalent Th atoms to form a mixture of distorted face, edge, and corner-sharing RbRb4Th4 tetrahedra. All Rb–Rb bond lengths are 4.34 Å. All Rb–Th bond lengths are 4.34 Å. In the second Rb site, Rb is bonded in a distorted body-centered cubic geometry to eight equivalent Rb atoms. Th is bonded in a body-centered cubic geometry to eight equivalent Rb atoms.

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Materials Data on ThMg3 by Materials Project

Mg3Th crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mg is bonded to eight equivalent Mg and four equivalent Th atoms to form distorted MgTh4Mg8 cuboctahedra that share corners with four equivalent ThMg12 cuboctahedra, corners with fourteen equivalent MgTh4Mg8 cuboctahedra, edges with six equivalent ThMg12 cuboctahedra, edges with twelve equivalent MgTh4Mg8 cuboctahedra, faces with four equivalent ThMg12 cuboctahedra, and faces with sixteen equivalent MgTh4Mg8 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.22–3.51 Å. There are two shorter (3.31 Å) and two longer (3.39 Å) Mg–Th bond lengths. Th is bonded to twelve equivalent Mg atoms to form ThMg12 cuboctahedra that share corners with six equivalent ThMg12 cuboctahedra, corners with twelve equivalent MgTh4Mg8 cuboctahedra, edges with eighteen equivalent MgTh4Mg8 cuboctahedra, faces with eight equivalent ThMg12 cuboctahedra, and faces with twelve equivalent MgTh4Mg8 cuboctahedra.

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Materials Data on YbThPt2 by Materials Project

ThYbPt2 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 Pt atoms. All Th–Pt bond lengths are 3.07 Å. Yb is bonded in a body-centered cubic geometry to eight equivalent Pt atoms. All Yb–Pt bond lengths are 3.07 Å. Pt is bonded in a body-centered cubic geometry to four equivalent Th and four equivalent Yb atoms.

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Materials Data on Y3Th by Materials Project

ThY3 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 Y atoms to form ThY12 cuboctahedra that share corners with six equivalent ThY12 cuboctahedra, corners with twelve equivalent YY8Th4 cuboctahedra, edges with eighteen equivalent YY8Th4 cuboctahedra, faces with eight equivalent ThY12 cuboctahedra, and faces with twelve equivalent YY8Th4 cuboctahedra. There are six shorter (3.57 Å) and six longer (3.62 Å) Th–Y bond lengths. Y is bonded to four equivalent Th and eight equivalent Y atoms to form YY8Th4 cuboctahedra that share corners with four equivalent ThY12 cuboctahedra, corners with fourteen equivalent YY8Th4 cuboctahedra, edges with six equivalent ThY12 cuboctahedra, edges with twelve equivalent YY8Th4 cuboctahedra, faces with four equivalent ThY12 cuboctahedra, and faces with sixteen equivalent YY8Th4 cuboctahedra. There are six shorter (3.59 Å) and two longer (3.65 Å) Y–Y bond lengths.

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Materials Data on Ac3Th by Materials Project

ThAc3 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 Ac atoms to form ThAc12 cuboctahedra that share corners with six equivalent ThAc12 cuboctahedra, corners with twelve equivalent AcAc8Th4 cuboctahedra, edges with eighteen equivalent AcAc8Th4 cuboctahedra, faces with eight equivalent ThAc12 cuboctahedra, and faces with twelve equivalent AcAc8Th4 cuboctahedra. There are six shorter (3.85 Å) and six longer (3.89 Å) Th–Ac bond lengths. Ac is bonded to four equivalent Th and eight equivalent Ac atoms to form AcAc8Th4 cuboctahedra that share corners with four equivalent ThAc12 cuboctahedra, corners with fourteen equivalent AcAc8Th4 cuboctahedra, edges with six equivalent ThAc12 cuboctahedra, edges with twelve equivalent AcAc8Th4 cuboctahedra, faces with four equivalent ThAc12 cuboctahedra, and faces with sixteen equivalent AcAc8Th4 cuboctahedra. There are a spread of Ac–Ac bond distances ranging from 3.80–3.98 Å.

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Materials Data on ThH2 by Materials Project

ThH2 is Fluorite 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 H atoms. All Th–H bond lengths are 2.38 Å. H is bonded to four equivalent Th atoms to form a mixture of edge and corner-sharing HTh4 tetrahedra.

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Materials Data on ThAu by Materials Project

ThAu crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Th is bonded in a 7-coordinate geometry to seven equivalent Au atoms. There are a spread of Th–Au bond distances ranging from 3.12–3.32 Å. Au is bonded in a 9-coordinate geometry to seven equivalent Th and two equivalent Au atoms. Both Au–Au bond lengths are 2.93 Å.

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Materials Data on Th2HN3 by Materials Project

Th2N2(NH) crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. there are two inequivalent Th4+ sites. In the first Th4+ site, Th4+ is bonded in a 7-coordinate geometry to seven N3- atoms. There are a spread of Th–N bond distances ranging from 2.41–2.73 Å. In the second Th4+ site, Th4+ is bonded in a 7-coordinate geometry to four N3- and three equivalent H1+ atoms. There are one shorter (2.31 Å) and three longer (2.37 Å) Th–N bond lengths. All Th–H bond lengths are 2.44 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded to four Th4+ atoms to form a mixture of edge and corner-sharing NTh4 tetrahedra. In the second N3- site, N3- is bonded to four Th4+ atoms to form a mixture of edge and corner-sharing NTh4 tetrahedra. In the third N3- site, N3- is bonded in a single-bond geometry to three equivalent Th4+ and one H1+ atom. The N–H bond length is 1.04 Å. H1+ is bonded in a single-bond geometry to three equivalent Th4+ and one N3- atom.

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Materials Data on ThCd3 by Materials Project

ThCd3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Th is bonded to twelve equivalent Cd atoms to form a mixture of face and corner-sharing ThCd12 cuboctahedra. There are six shorter (3.27 Å) and six longer (3.43 Å) Th–Cd bond lengths. Cd is bonded in a 4-coordinate geometry to four equivalent Th and six equivalent Cd atoms. There are four shorter (3.13 Å) and two longer (3.23 Å) Cd–Cd bond lengths.

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Materials Data on HfThO3 by Materials Project

ThHfO3 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 HfO6 octahedra. All Th–O bond lengths are 2.91 Å. Hf is bonded to six equivalent O atoms to form HfO6 octahedra that share corners with six equivalent HfO6 octahedra and faces with eight equivalent ThO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Hf–O bond lengths are 2.06 Å. O is bonded in a distorted linear geometry to four equivalent Th and two equivalent Hf atoms.

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Materials Data on Lu3Th by Materials Project

ThLu3 is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Th is bonded to twelve equivalent Lu atoms to form ThLu12 cuboctahedra that share corners with six equivalent ThLu12 cuboctahedra, corners with twelve equivalent LuLu8Th4 cuboctahedra, edges with eighteen equivalent LuLu8Th4 cuboctahedra, faces with eight equivalent ThLu12 cuboctahedra, and faces with twelve equivalent LuLu8Th4 cuboctahedra. There are six shorter (3.50 Å) and six longer (3.52 Å) Th–Lu bond lengths. Lu is bonded to four equivalent Th and eight equivalent Lu atoms to form LuLu8Th4 cuboctahedra that share corners with four equivalent ThLu12 cuboctahedra, corners with fourteen equivalent LuLu8Th4 cuboctahedra, edges with six equivalent ThLu12 cuboctahedra, edges with twelve equivalent LuLu8Th4 cuboctahedra, faces with four equivalent ThLu12 cuboctahedra, and faces with sixteen equivalent LuLu8Th4 cuboctahedra. There are a spread of Lu–Lu bond distances ranging from 3.49–3.53 Å.

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Materials Data on CeThN2 by Materials Project

ThCeN2 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 CeN6 octahedra, edges with six equivalent ThN6 octahedra, and edges with six equivalent CeN6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Th–N bond lengths are 2.57 Å. Ce is bonded to six equivalent N atoms to form CeN6 octahedra that share corners with six equivalent ThN6 octahedra, edges with six equivalent ThN6 octahedra, and edges with six equivalent CeN6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ce–N bond lengths are 2.55 Å. N is bonded to three equivalent Th and three equivalent Ce atoms to form a mixture of corner and edge-sharing NCe3Th3 octahedra. The corner-sharing octahedral tilt angles are 0°.

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Materials Data on Ce2ThS3 by Materials Project

ThCe2S3 is Caswellsilverite-like structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Th is bonded to six equivalent S atoms to form ThS6 octahedra that share corners with six equivalent CeS6 octahedra, edges with six equivalent ThS6 octahedra, and edges with six equivalent CeS6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Th–S bond lengths are 2.86 Å. Ce is bonded to six S atoms to form CeS6 octahedra that share corners with three equivalent ThS6 octahedra, corners with three equivalent CeS6 octahedra, edges with three equivalent ThS6 octahedra, and edges with nine equivalent CeS6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are three shorter (2.84 Å) and three longer (2.85 Å) Ce–S bond lengths. There are two inequivalent S sites. In the first S site, S is bonded to three equivalent Th and three equivalent Ce atoms to form a mixture of edge and corner-sharing SCe3Th3 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second S site, S is bonded to six equivalent Ce atoms to form a mixture of edge and corner-sharing SCe6 octahedra. The corner-sharing octahedral tilt angles are 0°.

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Materials Data on Tm3Th by Materials Project

ThTm3 is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Th is bonded to twelve equivalent Tm atoms to form ThTm12 cuboctahedra that share corners with six equivalent ThTm12 cuboctahedra, corners with twelve equivalent TmTm8Th4 cuboctahedra, edges with eighteen equivalent TmTm8Th4 cuboctahedra, faces with eight equivalent ThTm12 cuboctahedra, and faces with twelve equivalent TmTm8Th4 cuboctahedra. There are six shorter (3.52 Å) and six longer (3.54 Å) Th–Tm bond lengths. Tm is bonded to four equivalent Th and eight equivalent Tm atoms to form TmTm8Th4 cuboctahedra that share corners with four equivalent ThTm12 cuboctahedra, corners with fourteen equivalent TmTm8Th4 cuboctahedra, edges with six equivalent ThTm12 cuboctahedra, edges with twelve equivalent TmTm8Th4 cuboctahedra, faces with four equivalent ThTm12 cuboctahedra, and faces with sixteen equivalent TmTm8Th4 cuboctahedra. There are a spread of Tm–Tm bond distances ranging from 3.52–3.55 Å.

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Materials Data on LiThRh2 by Materials Project

LiThRh2 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 Rh atoms. All Li–Rh bond lengths are 2.89 Å. Th is bonded in a body-centered cubic geometry to eight equivalent Rh atoms. All Th–Rh bond lengths are 2.89 Å. Rh is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Th atoms.

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DOE OSTI2020

Materials Data on ThInRh2 by Materials Project

ThRh2In 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 Rh atoms. All Th–Rh bond lengths are 2.97 Å. Rh is bonded in a body-centered cubic geometry to four equivalent Th and four equivalent In atoms. All Rh–In bond lengths are 2.97 Å. In is bonded in a distorted body-centered cubic geometry to eight equivalent Rh atoms.

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