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At least 523 records · Page 29
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DOE OSTI2020

Materials Data on Th2CN by Materials Project

Th2CN is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Th is bonded to three equivalent C and three equivalent N atoms to form a mixture of edge and corner-sharing ThC3N3 octahedra. The corner-sharing octahedral tilt angles are 0°. All Th–C bond lengths are 2.65 Å. All Th–N bond lengths are 2.64 Å. C is bonded to six equivalent Th atoms to form CTh6 octahedra that share corners with six equivalent NTh6 octahedra, edges with six equivalent CTh6 octahedra, and edges with six equivalent NTh6 octahedra. The corner-sharing octahedral tilt angles are 0°. N is bonded to six equivalent Th atoms to form NTh6 octahedra that share corners with six equivalent CTh6 octahedra, edges with six equivalent CTh6 octahedra, and edges with six equivalent NTh6 octahedra. The corner-sharing octahedral tilt angles are 0°.

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Materials Data on ThMn2Ni3 by Materials Project

ThMn2Ni3 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Th is bonded in a 6-coordinate geometry to six equivalent Mn and twelve equivalent Ni atoms. All Th–Mn bond lengths are 2.93 Å. All Th–Ni bond lengths are 3.22 Å. Mn is bonded in a 12-coordinate geometry to three equivalent Th and six equivalent Ni atoms. All Mn–Ni bond lengths are 2.47 Å. Ni is bonded to four equivalent Th and four equivalent Mn atoms to form a mixture of distorted edge, corner, and face-sharing NiTh4Mn4 cuboctahedra.

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Materials Data on ThSiGe by Materials Project

ThGeSi 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 Ge and six equivalent Si atoms to form a mixture of face and edge-sharing ThSi6Ge6 cuboctahedra. There are four shorter (3.16 Å) and two longer (3.34 Å) Th–Ge bond lengths. There are four shorter (3.16 Å) and two longer (3.34 Å) Th–Si bond lengths. Ge is bonded in a 3-coordinate geometry to six equivalent Th and three equivalent Si atoms. There are two shorter (2.45 Å) and one longer (2.57 Å) Ge–Si bond lengths. Si is bonded in a 3-coordinate geometry to six equivalent Th and three equivalent Ge atoms.

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Materials Data on Sr3Th by Materials Project

Sr3Th is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Sr sites. In the first Sr site, Sr is bonded in a distorted body-centered cubic geometry to four equivalent Sr and four equivalent Th atoms. All Sr–Sr bond lengths are 3.88 Å. All Sr–Th bond lengths are 3.88 Å. In the second Sr site, Sr is bonded in a 8-coordinate geometry to eight equivalent Sr and six equivalent Th atoms. All Sr–Th bond lengths are 4.48 Å. Th is bonded in a distorted body-centered cubic geometry to fourteen Sr atoms.

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Materials Data on ThIrOs by Materials Project

ThOsIr is Cubic Laves-derived structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Th is bonded in a 12-coordinate geometry to six equivalent Os and six equivalent Ir atoms. There are four shorter (3.23 Å) and two longer (3.24 Å) Th–Os bond lengths. There are four shorter (3.12 Å) and two longer (3.31 Å) Th–Ir bond lengths. Os is bonded to six equivalent Th, two equivalent Os, and four equivalent Ir atoms to form OsTh6Ir4Os2 cuboctahedra that share corners with eight equivalent IrTh6Ir2Os4 cuboctahedra, corners with ten equivalent OsTh6Ir4Os2 cuboctahedra, edges with six equivalent OsTh6Ir4Os2 cuboctahedra, faces with six equivalent OsTh6Ir4Os2 cuboctahedra, and faces with twelve equivalent IrTh6Ir2Os4 cuboctahedra. Both Os–Os bond lengths are 2.61 Å. All Os–Ir bond lengths are 2.76 Å. Ir is bonded to six equivalent Th, four equivalent Os, and two equivalent Ir atoms to form IrTh6Ir2Os4 cuboctahedra that share corners with eight equivalent OsTh6Ir4Os2 cuboctahedra, corners with ten equivalent IrTh6Ir2Os4 cuboctahedra, edges with six equivalent IrTh6Ir2Os4 cuboctahedra, faces with six equivalent IrTh6Ir2Os4 cuboctahedra, and faces with twelve equivalent OsTh6Ir4Os2 cuboctahedra. Both Ir–Ir bond lengths are 2.77 Å.

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Materials Data on Th4SiGe by Materials Project

Th4GeSi is Khatyrkite-derived structured and crystallizes in the tetragonal I422 space group. The structure is three-dimensional. Th is bonded in a 4-coordinate geometry to two equivalent Ge and two equivalent Si atoms. Both Th–Ge bond lengths are 3.15 Å. Both Th–Si bond lengths are 3.15 Å. Ge is bonded in a 10-coordinate geometry to eight equivalent Th and two equivalent Si atoms. Both Ge–Si bond lengths are 3.02 Å. Si is bonded in a 10-coordinate geometry to eight equivalent Th and two equivalent Ge atoms.

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Materials Data on K3Th by Materials Project

K3Th is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded to eight K and four equivalent Th atoms to form distorted KK8Th4 cuboctahedra that share corners with twelve equivalent KK8Th4 cuboctahedra, edges with eight equivalent KK8Th4 cuboctahedra, edges with eight equivalent ThK12 cuboctahedra, faces with four equivalent ThK12 cuboctahedra, and faces with ten equivalent KK8Th4 cuboctahedra. There are four shorter (3.98 Å) and four longer (4.36 Å) K–K bond lengths. All K–Th bond lengths are 4.36 Å. In the second K site, K is bonded in a square co-planar geometry to eight equivalent K and four equivalent Th atoms. All K–Th bond lengths are 3.98 Å. Th is bonded to twelve K atoms to form ThK12 cuboctahedra that share corners with four equivalent ThK12 cuboctahedra, edges with eight equivalent ThK12 cuboctahedra, edges with sixteen equivalent KK8Th4 cuboctahedra, faces with four equivalent ThK12 cuboctahedra, and faces with eight equivalent KK8Th4 cuboctahedra.

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Materials Data on ThAgHg2 by Materials Project

ThAgHg2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Th is bonded in a distorted body-centered cubic geometry to six equivalent Ag and eight equivalent Hg atoms. All Th–Ag bond lengths are 3.64 Å. All Th–Hg bond lengths are 3.15 Å. Ag is bonded in a 8-coordinate geometry to six equivalent Th and eight equivalent Hg atoms. All Ag–Hg bond lengths are 3.15 Å. Hg is bonded in a body-centered cubic geometry to four equivalent Th and four equivalent Ag atoms.

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Materials Data on Th3Pd4 by Materials Project

Th3Pd4 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Th is bonded in a 9-coordinate geometry to nine Pd atoms. There are a spread of Th–Pd bond distances ranging from 2.90–3.42 Å. There are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a 8-coordinate geometry to six equivalent Th and two equivalent Pd atoms. Both Pd–Pd bond lengths are 2.92 Å. In the second Pd site, Pd is bonded in a 6-coordinate geometry to six equivalent Th and two equivalent Pd atoms. In the third Pd site, Pd is bonded in a 10-coordinate geometry to seven equivalent Th and three equivalent Pd atoms. There are one shorter (2.96 Å) and two longer (3.03 Å) Pd–Pd bond lengths.

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Materials Data on LiTh2Tc by Materials Project

LiTh2Tc 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 Th atoms. All Li–Th bond lengths are 3.13 Å. Th is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Tc atoms. All Th–Tc bond lengths are 3.13 Å. Tc is bonded in a body-centered cubic geometry to eight equivalent Th atoms.

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Materials Data on Th4AlGe by Materials Project

Th4AlGe is Khatyrkite-derived structured and crystallizes in the tetragonal I422 space group. The structure is three-dimensional. Th is bonded in a 4-coordinate geometry to two equivalent Al and two equivalent Ge atoms. Both Th–Al bond lengths are 3.21 Å. Both Th–Ge bond lengths are 3.21 Å. Al is bonded in a 10-coordinate geometry to eight equivalent Th and two equivalent Ge atoms. Both Al–Ge bond lengths are 2.92 Å. Ge is bonded in a distorted q6 geometry to eight equivalent Th and two equivalent Al atoms.

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Materials Data on Pu3Th by Materials Project

Pu3Th is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Pu sites. In the first Pu site, Pu is bonded to eight Pu and four equivalent Th atoms to form PuPu8Th4 cuboctahedra that share corners with twelve equivalent PuPu8Th4 cuboctahedra, edges with eight equivalent ThPu12 cuboctahedra, edges with sixteen PuPu8Th4 cuboctahedra, faces with four equivalent ThPu12 cuboctahedra, and faces with fourteen PuPu8Th4 cuboctahedra. There are four shorter (3.32 Å) and four longer (3.33 Å) Pu–Pu bond lengths. All Pu–Th bond lengths are 3.33 Å. In the second Pu site, Pu is bonded to eight equivalent Pu and four equivalent Th atoms to form PuPu8Th4 cuboctahedra that share corners with four equivalent PuPu8Th4 cuboctahedra, corners with eight equivalent ThPu12 cuboctahedra, edges with twenty-four PuPu8Th4 cuboctahedra, faces with six equivalent ThPu12 cuboctahedra, and faces with twelve PuPu8Th4 cuboctahedra. All Pu–Th bond lengths are 3.32 Å. Th is bonded to twelve Pu atoms to form ThPu12 cuboctahedra that share corners with four equivalent ThPu12 cuboctahedra, corners with eight equivalent PuPu8Th4 cuboctahedra, edges with eight equivalent ThPu12 cuboctahedra, edges with sixteen equivalent PuPu8Th4 cuboctahedra, faces with four equivalent ThPu12 cuboctahedra, and faces with fourteen PuPu8Th4 cuboctahedra.

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Materials Data on ThCoH4 by Materials Project

ThCoH4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Th is bonded in a 9-coordinate geometry to thirteen H atoms. There are a spread of Th–H bond distances ranging from 2.38–2.75 Å. Co is bonded to six H atoms to form corner-sharing CoH6 octahedra. The corner-sharing octahedra tilt angles range from 0–7°. There is four shorter (1.65 Å) and two longer (1.94 Å) Co–H bond length. There are three inequivalent H sites. In the first H site, H is bonded to three equivalent Th and two equivalent Co atoms to form a mixture of edge and corner-sharing HTh3Co2 trigonal bipyramids. In the second H site, H is bonded in a distorted single-bond geometry to three equivalent Th and one Co atom. In the third H site, H is bonded in a linear geometry to four equivalent Th and two equivalent Co atoms.

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Materials Data on Th3Ni3Sn4 by Materials Project

Th3Ni3Sn4 crystallizes in the cubic I-43d space group. The structure is three-dimensional. Th is bonded in a 12-coordinate geometry to four equivalent Ni and eight equivalent Sn atoms. All Th–Ni bond lengths are 2.96 Å. There are four shorter (3.30 Å) and four longer (3.39 Å) Th–Sn bond lengths. Ni is bonded in a 8-coordinate geometry to four equivalent Th and four equivalent Sn atoms. All Ni–Sn bond lengths are 2.68 Å. Sn is bonded in a 9-coordinate geometry to six equivalent Th and three equivalent Ni atoms.

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Materials Data on ThRe2SiC by Materials Project

ThRe2SiC crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Th is bonded in a 4-coordinate geometry to three equivalent Si and four equivalent C atoms. There are one shorter (3.11 Å) and two longer (3.17 Å) Th–Si bond lengths. All Th–C bond lengths are 2.77 Å. Re is bonded in a single-bond geometry to three equivalent Si and one C atom. There are one shorter (2.51 Å) and two longer (2.54 Å) Re–Si bond lengths. The Re–C bond length is 1.97 Å. Si is bonded in a 9-coordinate geometry to three equivalent Th and six equivalent Re atoms. C is bonded to four equivalent Th and two equivalent Re atoms to form a mixture of corner and edge-sharing CTh4Re2 octahedra. The corner-sharing octahedral tilt angles are 21°.

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Materials Data on ThFe2Ni3 by Materials Project

ThFe2Ni3 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Th is bonded in a 6-coordinate geometry to six equivalent Fe and twelve equivalent Ni atoms. All Th–Fe bond lengths are 2.88 Å. All Th–Ni bond lengths are 3.20 Å. Fe is bonded in a 12-coordinate geometry to three equivalent Th and six equivalent Ni atoms. All Fe–Ni bond lengths are 2.46 Å. Ni is bonded to four equivalent Th, four equivalent Fe, and four equivalent Ni atoms to form a mixture of distorted corner, edge, and face-sharing NiTh4Fe4Ni4 cuboctahedra. All Ni–Ni bond lengths are 2.49 Å.

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Materials Data on K3Th by Materials Project

K3Th is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a distorted body-centered cubic geometry to four equivalent K and four equivalent Th atoms. All K–K bond lengths are 4.15 Å. All K–Th bond lengths are 4.15 Å. In the second K site, K is bonded in a distorted body-centered cubic geometry to eight equivalent K and six equivalent Th atoms. All K–Th bond lengths are 4.79 Å. Th is bonded in a body-centered cubic geometry to fourteen K atoms.

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Materials Data on Th3Sn13Os4 by Materials Project

Th3Os4Sn13 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Th is bonded in a 12-coordinate geometry to four equivalent Os and twelve equivalent Sn atoms. All Th–Os bond lengths are 3.47 Å. All Th–Sn bond lengths are 3.46 Å. Os is bonded in a 6-coordinate geometry to three equivalent Th and six equivalent Sn atoms. All Os–Sn bond lengths are 2.69 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 2-coordinate geometry to three equivalent Th, two equivalent Os, and one Sn atom. The Sn–Sn bond length is 3.35 Å. In the second Sn site, Sn is bonded in a cuboctahedral geometry to twelve equivalent Sn atoms.

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