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At least 883 records · Page 49

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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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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Materials Data on Th2Tl by Materials Project

Th2Tl is Khatyrkite structured and crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Th is bonded in a 4-coordinate geometry to four equivalent Tl atoms. All Th–Tl bond lengths are 3.36 Å. Tl is bonded in a 10-coordinate geometry to eight equivalent Th and two equivalent Tl atoms. Both Tl–Tl bond lengths are 3.03 Å.

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Materials Data on Ba3Th by Materials Project

Ba3Th is Uranium Silicide structured and crystallizes in the cubic Pm-3m 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 twelve equivalent BaBa8Th4 cuboctahedra, edges with eight equivalent ThBa12 cuboctahedra, edges with sixteen equivalent BaBa8Th4 cuboctahedra, faces with four equivalent ThBa12 cuboctahedra, and faces with fourteen equivalent BaBa8Th4 cuboctahedra. All Ba–Ba bond lengths are 4.09 Å. All Ba–Th bond lengths are 4.09 Å. Th is bonded to twelve equivalent Ba atoms to form ThBa12 cuboctahedra that share corners with twelve equivalent ThBa12 cuboctahedra, edges with twenty-four equivalent BaBa8Th4 cuboctahedra, faces with six equivalent ThBa12 cuboctahedra, and faces with twelve equivalent BaBa8Th4 cuboctahedra.

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Materials Data on ThMgHg2 by Materials Project

MgThHg2 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 Hg atoms. All Mg–Hg bond lengths are 3.19 Å. Th is bonded in a body-centered cubic geometry to eight equivalent Hg atoms. All Th–Hg bond lengths are 3.19 Å. Hg is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent Th atoms.

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Materials Data on ThSiO3 by Materials Project

ThSiO3 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 SiO6 octahedra. All Th–O bond lengths are 2.75 Å. Si is bonded to six equivalent O atoms to form SiO6 octahedra that share corners with six equivalent SiO6 octahedra and faces with eight equivalent ThO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Si–O bond lengths are 1.94 Å. O is bonded in a distorted linear geometry to four equivalent Th and two equivalent Si atoms.

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Materials Data on Ho3Th by Materials Project

ThHo3 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 Ho atoms to form ThHo12 cuboctahedra that share corners with six equivalent ThHo12 cuboctahedra, corners with twelve equivalent HoHo8Th4 cuboctahedra, edges with eighteen equivalent HoHo8Th4 cuboctahedra, faces with eight equivalent ThHo12 cuboctahedra, and faces with twelve equivalent HoHo8Th4 cuboctahedra. There are six shorter (3.55 Å) and six longer (3.56 Å) Th–Ho bond lengths. Ho is bonded to four equivalent Th and eight equivalent Ho atoms to form HoHo8Th4 cuboctahedra that share corners with four equivalent ThHo12 cuboctahedra, corners with fourteen equivalent HoHo8Th4 cuboctahedra, edges with six equivalent ThHo12 cuboctahedra, edges with twelve equivalent HoHo8Th4 cuboctahedra, faces with four equivalent ThHo12 cuboctahedra, and faces with sixteen equivalent HoHo8Th4 cuboctahedra. There are four shorter (3.55 Å) and four longer (3.56 Å) Ho–Ho bond lengths.

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Materials Data on ThHg3 by Materials Project

ThHg3 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Th is bonded in a 12-coordinate geometry to six equivalent Hg atoms. All Th–Hg bond lengths are 3.32 Å. There are two inequivalent Hg sites. In the first Hg site, Hg is bonded in a 6-coordinate geometry to six equivalent Hg atoms. All Hg–Hg bond lengths are 3.14 Å. In the second Hg site, Hg is bonded in a 6-coordinate geometry to three equivalent Th and three equivalent Hg atoms.

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Materials Data on ThAlCu2 by Materials Project

ThCu2Al 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 2.88 Å. Cu is bonded in a body-centered cubic geometry to four equivalent Th and four equivalent Al atoms. All Cu–Al bond lengths are 2.88 Å. Al is bonded in a distorted body-centered cubic geometry to eight equivalent Cu atoms.

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Materials Data on ThMn3Ni2 by Materials Project

ThMn3Ni2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Th is bonded in a distorted hexagonal planar geometry to six equivalent Ni atoms. All Th–Ni bond lengths are 2.90 Å. Mn is bonded in a 12-coordinate geometry to four equivalent Ni atoms. All Mn–Ni bond lengths are 2.53 Å. Ni is bonded in a 12-coordinate geometry to three equivalent Th and six equivalent Mn atoms.

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