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At least 505 records · Page 28
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DOE OSTI2020

Materials Data on Li3Th by Materials Project

Li3Th is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Th atoms. All Li–Li bond lengths are 3.10 Å. All Li–Th bond lengths are 3.10 Å. In the second Li site, Li is bonded in a 8-coordinate geometry to eight equivalent Li and six equivalent Th atoms. All Li–Th bond lengths are 3.57 Å. Th is bonded in a distorted body-centered cubic geometry to fourteen Li atoms.

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Materials Data on Th2ZnTc by Materials Project

Th2TcZn 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 four equivalent Tc and four equivalent Zn atoms. All Th–Tc bond lengths are 3.13 Å. All Th–Zn bond lengths are 3.13 Å. Tc is bonded in a body-centered cubic geometry to eight equivalent Th atoms. Zn is bonded in a body-centered cubic geometry to eight equivalent Th atoms.

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Materials Data on ThBiTe by Materials Project

ThBiTe is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Th is bonded in a 9-coordinate geometry to four equivalent Bi and five equivalent Te atoms. All Th–Bi bond lengths are 3.44 Å. There are one shorter (3.29 Å) and four longer (3.30 Å) Th–Te bond lengths. Bi is bonded in a 8-coordinate geometry to four equivalent Th and four equivalent Bi atoms. All Bi–Bi bond lengths are 3.20 Å. Te is bonded to five equivalent Th atoms to form a mixture of distorted corner and edge-sharing TeTh5 trigonal bipyramids.

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Materials Data on ThSiTe by Materials Project

ThSiTe crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Th is bonded in a 9-coordinate geometry to four equivalent Si and five equivalent Te atoms. All Th–Si bond lengths are 3.05 Å. There are four shorter (3.20 Å) and one longer (3.54 Å) Th–Te bond lengths. Si is bonded in a distorted square co-planar geometry to four equivalent Th atoms. Te is bonded in a 5-coordinate geometry to five equivalent Th atoms.

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Materials Data on ThSi2Ru3 by Materials Project

ThRu3Si2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Th is bonded in a 12-coordinate geometry to twelve equivalent Ru and six equivalent Si atoms. All Th–Ru bond lengths are 3.35 Å. All Th–Si bond lengths are 3.26 Å. Ru is bonded in a distorted square co-planar geometry to four equivalent Th and four equivalent Si atoms. All Ru–Si bond lengths are 2.44 Å. Si is bonded in a 9-coordinate geometry to three equivalent Th and six equivalent Ru atoms.

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Materials Data on Th6Mn23H44 by Materials Project

Mn(Th3(MnH2)11)2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of four manganese molecules and one Th3(MnH2)11 framework. In the Th3(MnH2)11 framework, Th is bonded in a 8-coordinate geometry to sixteen H atoms. There are a spread of Th–H bond distances ranging from 2.27–2.72 Å. There are three inequivalent Mn sites. In the first Mn site, Mn is bonded in a 3-coordinate geometry to three equivalent H atoms. All Mn–H bond lengths are 1.67 Å. In the second Mn site, Mn is bonded in an octahedral geometry to six H atoms. There is four shorter (1.68 Å) and two longer (1.78 Å) Mn–H bond length. In the third Mn site, Mn is bonded in a trigonal non-coplanar geometry to three equivalent H atoms. All Mn–H bond lengths are 1.80 Å. There are three inequivalent H sites. In the first H site, H is bonded in a distorted water-like geometry to two equivalent Th and two Mn atoms. In the second H site, H is bonded in a 5-coordinate geometry to two equivalent Th and three Mn atoms. In the third H site, H is bonded in a trigonal planar geometry to three equivalent Th atoms.

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Materials Data on Th2SbTe by Materials Project

Th2SbTe 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 four equivalent Sb and four equivalent Te atoms. All Th–Sb bond lengths are 3.34 Å. All Th–Te bond lengths are 3.34 Å. Sb is bonded in a body-centered cubic geometry to eight equivalent Th atoms. Te is bonded in a body-centered cubic geometry to eight equivalent Th atoms.

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Materials Data on Th3Sn13Ru4 by Materials Project

Th3Ru4Sn13 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Th is bonded in a 12-coordinate geometry to four equivalent Ru and twelve equivalent Sn atoms. All Th–Ru bond lengths are 3.58 Å. There are four shorter (3.54 Å) and eight longer (3.57 Å) Th–Sn bond lengths. Ru is bonded in a 6-coordinate geometry to three equivalent Th and six equivalent Sn atoms. All Ru–Sn bond lengths are 2.77 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 Ru, and one Sn atom. The Sn–Sn bond length is 3.46 Å. In the second Sn site, Sn is bonded in a cuboctahedral geometry to twelve equivalent Sn atoms.

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Materials Data on Th3In13Ni4 by Materials Project

Th3Ni4In13 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Th is bonded in a 12-coordinate geometry to four equivalent Ni and twelve equivalent In atoms. All Th–Ni bond lengths are 3.41 Å. There are four shorter (3.37 Å) and eight longer (3.41 Å) Th–In bond lengths. Ni is bonded in a 6-coordinate geometry to three equivalent Th and six equivalent In atoms. All Ni–In bond lengths are 2.63 Å. There are two inequivalent In sites. In the first In site, In is bonded in a 2-coordinate geometry to three equivalent Th, two equivalent Ni, and one In atom. The In–In bond length is 3.30 Å. In the second In site, In is bonded in a cuboctahedral geometry to twelve equivalent In atoms.

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Materials Data on Th4AgPd by Materials Project

Th4PdAg 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 Pd and two equivalent Ag atoms. Both Th–Pd bond lengths are 3.17 Å. Both Th–Ag bond lengths are 3.17 Å. Pd is bonded in a distorted q6 geometry to eight equivalent Th and two equivalent Ag atoms. Both Pd–Ag bond lengths are 2.98 Å. Ag is bonded in a distorted q6 geometry to eight equivalent Th and two equivalent Pd atoms.

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Materials Data on ThMn2Co3 by Materials Project

ThMn2Co3 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 Co atoms. All Th–Mn bond lengths are 2.95 Å. All Th–Co bond lengths are 3.22 Å. Mn is bonded in a 12-coordinate geometry to three equivalent Th and six equivalent Co atoms. All Mn–Co bond lengths are 2.45 Å. Co is bonded to four equivalent Th and four equivalent Mn atoms to form a mixture of distorted face, edge, and corner-sharing CoTh4Mn4 cuboctahedra.

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Materials Data on Sr3Th by Materials Project

Sr3Th is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Sr sites. In the first Sr site, Sr is bonded to eight Sr and four equivalent Th atoms to form distorted SrSr8Th4 cuboctahedra that share corners with twelve equivalent SrSr8Th4 cuboctahedra, edges with eight equivalent ThSr12 cuboctahedra, edges with sixteen SrSr8Th4 cuboctahedra, faces with four equivalent ThSr12 cuboctahedra, and faces with fourteen SrSr8Th4 cuboctahedra. There are four shorter (4.00 Å) and four longer (4.07 Å) Sr–Sr bond lengths. All Sr–Th bond lengths are 4.00 Å. In the second Sr site, Sr is bonded to eight equivalent Sr and four equivalent Th atoms to form SrSr8Th4 cuboctahedra that share corners with four equivalent SrSr8Th4 cuboctahedra, corners with eight equivalent ThSr12 cuboctahedra, edges with twenty-four SrSr8Th4 cuboctahedra, faces with six equivalent ThSr12 cuboctahedra, and faces with twelve SrSr8Th4 cuboctahedra. All Sr–Th bond lengths are 4.07 Å. Th is bonded to twelve Sr atoms to form ThSr12 cuboctahedra that share corners with four equivalent ThSr12 cuboctahedra, corners with eight equivalent SrSr8Th4 cuboctahedra, edges with eight equivalent ThSr12 cuboctahedra, edges with sixteen equivalent SrSr8Th4 cuboctahedra, faces with four equivalent ThSr12 cuboctahedra, and faces with fourteen SrSr8Th4 cuboctahedra.

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Materials Data on Th2(CoP)3 by Materials Project

Th2(CoP)3 crystallizes in the tetragonal P4/mmm space group. The structure is one-dimensional and consists of one Th2(CoP)3 ribbon oriented in the (0, 0, 1) direction. Th is bonded in a linear geometry to one Co and one P atom. The Th–Co bond length is 2.07 Å. The Th–P bond length is 2.56 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a linear geometry to one Th and one P atom. The Co–P bond length is 2.13 Å. In the second Co site, Co is bonded in a linear geometry to two equivalent P atoms. Both Co–P bond lengths are 2.16 Å. There are two inequivalent P sites. In the first P site, P is bonded in a linear geometry to one Th and one Co atom. In the second P site, P is bonded in a linear geometry to two equivalent Co atoms.

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Materials Data on ThInCu2 by Materials Project

ThCu2In 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 and six equivalent In atoms. All Th–Cu bond lengths are 2.96 Å. All Th–In bond lengths are 3.42 Å. Cu is bonded in a body-centered cubic geometry to four equivalent Th and four equivalent In atoms. All Cu–In bond lengths are 2.96 Å. In is bonded in a distorted body-centered cubic geometry to six equivalent Th and eight equivalent Cu atoms.

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Materials Data on Th3Co4Sn13 by Materials Project

Th3Co4Sn13 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Th is bonded in a 12-coordinate geometry to four equivalent Co and twelve equivalent Sn atoms. All Th–Co bond lengths are 3.41 Å. There are four shorter (3.36 Å) and eight longer (3.41 Å) Th–Sn bond lengths. Co is bonded in a 6-coordinate geometry to three equivalent Th and six equivalent Sn atoms. All Co–Sn bond lengths are 2.63 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 Co, and four Sn atoms. There are a spread of Sn–Sn bond distances ranging from 3.01–3.30 Å. In the second Sn site, Sn is bonded in a cuboctahedral geometry to twelve equivalent Sn atoms.

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Materials Data on Th2CuTc by Materials Project

Th2TcCu 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 four equivalent Tc and four equivalent Cu atoms. All Th–Tc bond lengths are 3.10 Å. All Th–Cu bond lengths are 3.10 Å. Tc is bonded in a body-centered cubic geometry to eight equivalent Th atoms. Cu is bonded in a body-centered cubic geometry to eight equivalent Th atoms.

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Materials Data on ThFe3Co2 by Materials Project

ThFe3Co2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Th is bonded in a distorted hexagonal planar geometry to twelve equivalent Fe and six equivalent Co atoms. All Th–Fe bond lengths are 3.17 Å. All Th–Co bond lengths are 2.83 Å. Fe is bonded to four equivalent Th, four equivalent Fe, and four equivalent Co atoms to form FeTh4Fe4Co4 cuboctahedra that share corners with eight equivalent CoTh3Fe6 cuboctahedra, corners with sixteen equivalent FeTh4Fe4Co4 cuboctahedra, edges with eight equivalent CoTh3Fe6 cuboctahedra, edges with ten equivalent FeTh4Fe4Co4 cuboctahedra, faces with four equivalent CoTh3Fe6 cuboctahedra, and faces with ten equivalent FeTh4Fe4Co4 cuboctahedra. All Fe–Fe bond lengths are 2.45 Å. All Fe–Co bond lengths are 2.46 Å. Co is bonded to three equivalent Th and six equivalent Fe atoms to form distorted CoTh3Fe6 cuboctahedra that share corners with twelve equivalent FeTh4Fe4Co4 cuboctahedra, corners with fifteen equivalent CoTh3Fe6 cuboctahedra, edges with twelve equivalent FeTh4Fe4Co4 cuboctahedra, faces with five equivalent CoTh3Fe6 cuboctahedra, and faces with six equivalent FeTh4Fe4Co4 cuboctahedra.

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Materials Data on ThGeTe by Materials Project

ThGeTe crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Th is bonded in a 9-coordinate geometry to four equivalent Ge and five equivalent Te atoms. All Th–Ge bond lengths are 3.10 Å. There are four shorter (3.22 Å) and one longer (3.46 Å) Th–Te bond lengths. Ge is bonded in a distorted square co-planar geometry to four equivalent Th and four equivalent Ge atoms. All Ge–Ge bond lengths are 2.99 Å. Te is bonded in a 5-coordinate geometry to five equivalent Th atoms.

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