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At least 1,369 records · Page 76
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DOE OSTI2020

Materials Data on Ce3Sn13Rh4 by Materials Project

Ce3Rh4Sn13 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Ce is bonded in a 12-coordinate geometry to four equivalent Rh and twelve equivalent Sn atoms. All Ce–Rh bond lengths are 3.46 Å. There are eight shorter (3.42 Å) and four longer (3.46 Å) Ce–Sn bond lengths. Rh is bonded in a 6-coordinate geometry to three equivalent Ce and six equivalent Sn atoms. All Rh–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 Ce, two equivalent Rh, and one Sn atom. The Sn–Sn bond length is 3.36 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 CeAl2Pt3 by Materials Project

CePt3Al2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Ce is bonded in a 6-coordinate geometry to twelve equivalent Pt and six equivalent Al atoms. All Ce–Pt bond lengths are 3.44 Å. All Ce–Al bond lengths are 3.23 Å. Pt is bonded in a 4-coordinate geometry to four equivalent Ce and four equivalent Al atoms. All Pt–Al bond lengths are 2.58 Å. Al is bonded in a 9-coordinate geometry to three equivalent Ce and six equivalent Pt atoms.

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Materials Data on CeZn3Cu2 by Materials Project

CeCu2Zn3 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Ce is bonded in a distorted hexagonal planar geometry to six equivalent Cu and twelve equivalent Zn atoms. All Ce–Cu bond lengths are 3.02 Å. All Ce–Zn bond lengths are 3.36 Å. Cu is bonded in a 12-coordinate geometry to three equivalent Ce and six equivalent Zn atoms. All Cu–Zn bond lengths are 2.60 Å. Zn is bonded to four equivalent Ce, four equivalent Cu, and four equivalent Zn atoms to form a mixture of distorted corner, edge, and face-sharing ZnCe4Zn4Cu4 cuboctahedra. All Zn–Zn bond lengths are 2.61 Å.

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DOE OSTI2020

Materials Data on Ce4ThO9 by Materials Project

ThCe4O9 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Th4+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are four shorter (2.35 Å) and four longer (2.55 Å) Th–O bond lengths. Ce+3.50+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Ce–O bond distances ranging from 2.31–2.44 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Ce+3.50+ atoms to form a mixture of edge and corner-sharing OCe4 tetrahedra. In the second O2- site, O2- is bonded to one Th4+ and three equivalent Ce+3.50+ atoms to form a mixture of edge and corner-sharing OCe3Th tetrahedra. In the third O2- site, O2- is bonded to one Th4+ and three equivalent Ce+3.50+ atoms to form distorted OCe3Th tetrahedra that share corners with fifteen OCe4 tetrahedra and edges with five equivalent OCe3Th tetrahedra.

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Materials Data on Ce4ThO10 by Materials Project

ThCe4O10 is Fluorite-derived structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Th4+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are four shorter (2.40 Å) and four longer (2.41 Å) Th–O bond lengths. There are five inequivalent Ce4+ sites. In the first Ce4+ site, Ce4+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Ce–O bond distances ranging from 2.36–2.39 Å. In the second Ce4+ site, Ce4+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are three shorter (2.37 Å) and five longer (2.38 Å) Ce–O bond lengths. In the third Ce4+ site, Ce4+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are four shorter (2.37 Å) and four longer (2.38 Å) Ce–O bond lengths. In the fourth Ce4+ site, Ce4+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Ce–O bond distances ranging from 2.36–2.39 Å. In the fifth Ce4+ site, Ce4+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are one shorter (2.36 Å) and seven longer (2.38 Å) Ce–O bond lengths. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded to four Ce4+ atoms to form a mixture of edge and corner-sharing OCe4 tetrahedra. In the second O2- site, O2- is bonded to four Ce4+ atoms to form a mixture of edge and corner-sharing OCe4 tetrahedra. In the third O2- site, O2- is bonded to one Th4+ and three Ce4+ atoms to form a mixture of edge and corner-sharing OCe3Th tetrahedra. In the fourth O2- site, O2- is bonded to two equivalent Th4+ and two Ce4+ atoms to form OCe2Th2 tetrahedra that share corners with sixteen OCe4 tetrahedra and edges with six OCe3Th tetrahedra. In the fifth O2- site, O2- is bonded to four Ce4+ atoms to form OCe4 tetrahedra that share corners with sixteen OCe4 tetrahedra and edges with six OCe3Th tetrahedra. In the sixth O2- site, O2- is bonded to one Th4+ and three Ce4+ atoms to form OCe3Th tetrahedra that share corners with sixteen OCe4 tetrahedra and edges with six OCe3Th tetrahedra. In the seventh O2- site, O2- is bonded to one Th4+ and three Ce4+ atoms to form OCe3Th tetrahedra that share corners with sixteen OCe4 tetrahedra and edges with six OCe3Th tetrahedra. In the eighth O2- site, O2- is bonded to four Ce4+ atoms to form a mixture of edge and corner-sharing OCe4 tetrahedra. In the ninth O2- site, O2- is bonded to one Th4+ and three Ce4+ atoms to form a mixture of edge and corner-sharing OCe3Th tetrahedra. In the tenth O2- site, O2- is bonded to two equivalent Th4+ and two Ce4+ atoms to form OCe2Th2 tetrahedra that share corners with sixteen OCe4 tetrahedra and edges with six OCe3Th tetrahedra.

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Materials Data on CeSiRu by Materials Project

CeRuSi is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Ce is bonded in a 9-coordinate geometry to four equivalent Ru and five equivalent Si atoms. All Ce–Ru bond lengths are 3.02 Å. There are four shorter (3.11 Å) and one longer (3.32 Å) Ce–Si bond lengths. Ru is bonded in a 8-coordinate geometry to four equivalent Ce and four equivalent Si atoms. All Ru–Si bond lengths are 2.46 Å. Si is bonded in a 9-coordinate geometry to five equivalent Ce and four equivalent Ru atoms.

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Materials Data on CeCdAg2 by Materials Project

CeAg2Cd is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ce is bonded in a body-centered cubic geometry to eight equivalent Ag and six equivalent Cd atoms. All Ce–Ag bond lengths are 3.09 Å. All Ce–Cd bond lengths are 3.57 Å. Ag is bonded in a body-centered cubic geometry to four equivalent Ce and four equivalent Cd atoms. All Ag–Cd bond lengths are 3.09 Å. Cd is bonded in a distorted body-centered cubic geometry to six equivalent Ce and eight equivalent Ag atoms.

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Materials Data on Li2CeAl by Materials Project

Li2CeAl 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 four equivalent Ce and four equivalent Al atoms. All Li–Ce bond lengths are 2.96 Å. All Li–Al bond lengths are 2.96 Å. Ce is bonded in a distorted body-centered cubic geometry to eight equivalent Li and six equivalent Al atoms. All Ce–Al bond lengths are 3.42 Å. Al is bonded in a body-centered cubic geometry to eight equivalent Li and six equivalent Ce atoms.

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Materials Data on CeAgHg2 by Materials Project

CeAgHg2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ce is bonded in a distorted body-centered cubic geometry to six equivalent Ag and eight equivalent Hg atoms. All Ce–Ag bond lengths are 3.64 Å. All Ce–Hg bond lengths are 3.15 Å. Ag is bonded in a 8-coordinate geometry to six equivalent Ce 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 Ce and four equivalent Ag atoms.

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Materials Data on Li2CePb by Materials Project

Li2CePb 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 four equivalent Ce and four equivalent Pb atoms. All Li–Ce bond lengths are 3.05 Å. All Li–Pb bond lengths are 3.05 Å. Ce is bonded in a 8-coordinate geometry to eight equivalent Li and six equivalent Pb atoms. All Ce–Pb bond lengths are 3.52 Å. Pb is bonded in a distorted body-centered cubic geometry to eight equivalent Li and six equivalent Ce atoms.

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Materials Data on Li2CeTl by Materials Project

Li2CeTl 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 four equivalent Ce and four equivalent Tl atoms. All Li–Ce bond lengths are 3.05 Å. All Li–Tl bond lengths are 3.05 Å. Ce is bonded in a distorted body-centered cubic geometry to eight equivalent Li and six equivalent Tl atoms. All Ce–Tl bond lengths are 3.53 Å. Tl is bonded in a body-centered cubic geometry to eight equivalent Li and six equivalent Ce atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeZn2Ag by Materials Project

CeAgZn2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ce is bonded in a distorted body-centered cubic geometry to six equivalent Ag and eight equivalent Zn atoms. All Ce–Ag bond lengths are 3.43 Å. All Ce–Zn bond lengths are 2.97 Å. Ag is bonded in a distorted body-centered cubic geometry to six equivalent Ce and eight equivalent Zn atoms. All Ag–Zn bond lengths are 2.97 Å. Zn is bonded in a body-centered cubic geometry to four equivalent Ce and four equivalent Ag atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce2AgPb by Materials Project

Ce2AgPb is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ce is bonded in a body-centered cubic geometry to four equivalent Ag and four equivalent Pb atoms. All Ce–Ag bond lengths are 3.34 Å. All Ce–Pb bond lengths are 3.34 Å. Ag is bonded in a body-centered cubic geometry to eight equivalent Ce atoms. Pb is bonded in a body-centered cubic geometry to eight equivalent Ce atoms.

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DOE OSTI2020

Materials Data on CeAsPd by Materials Project

CePdAs is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ce is bonded to six equivalent Pd and six equivalent As atoms to form a mixture of edge and face-sharing CeAs6Pd6 cuboctahedra. All Ce–Pd bond lengths are 3.19 Å. All Ce–As bond lengths are 3.19 Å. Pd is bonded in a 9-coordinate geometry to six equivalent Ce and three equivalent As atoms. All Pd–As bond lengths are 2.52 Å. As is bonded in a 9-coordinate geometry to six equivalent Ce and three equivalent Pd atoms.

36 MATERIALS SCIENCE↗
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Materials Data on LiCe2Ru by Materials Project

LiCe2Ru 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 Ce atoms. All Li–Ce bond lengths are 3.04 Å. Ce is bonded in a distorted body-centered cubic geometry to four equivalent Li and four equivalent Ru atoms. All Ce–Ru bond lengths are 3.04 Å. Ru is bonded in a body-centered cubic geometry to eight equivalent Ce atoms.

36 MATERIALS SCIENCE↗
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Materials Data on Ce2ZnPb by Materials Project

Ce2ZnPb is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ce is bonded in a body-centered cubic geometry to four equivalent Zn and four equivalent Pb atoms. All Ce–Zn bond lengths are 3.30 Å. All Ce–Pb bond lengths are 3.30 Å. Zn is bonded in a body-centered cubic geometry to eight equivalent Ce atoms. Pb is bonded in a body-centered cubic geometry to eight equivalent Ce atoms.

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Materials Data on Ce2MgAl by Materials Project

MgCe2Al 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 Ce atoms. All Mg–Ce bond lengths are 3.24 Å. Ce is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent Al atoms. All Ce–Al bond lengths are 3.24 Å. Al is bonded in a body-centered cubic geometry to eight equivalent Ce atoms.

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Materials Data on CeDy3 by Materials Project

Dy3Ce crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded to eight Dy and four equivalent Ce atoms to form DyCe4Dy8 cuboctahedra that share corners with twelve equivalent DyCe4Dy8 cuboctahedra, edges with eight equivalent CeDy12 cuboctahedra, edges with sixteen DyCe4Dy8 cuboctahedra, faces with four equivalent CeDy12 cuboctahedra, and faces with fourteen DyCe4Dy8 cuboctahedra. All Dy–Dy bond lengths are 3.53 Å. All Dy–Ce bond lengths are 3.53 Å. In the second Dy site, Dy is bonded to eight equivalent Dy and four equivalent Ce atoms to form DyCe4Dy8 cuboctahedra that share corners with four equivalent DyCe4Dy8 cuboctahedra, corners with eight equivalent CeDy12 cuboctahedra, edges with twenty-four DyCe4Dy8 cuboctahedra, faces with six equivalent CeDy12 cuboctahedra, and faces with twelve DyCe4Dy8 cuboctahedra. All Dy–Ce bond lengths are 3.53 Å. Ce is bonded to twelve Dy atoms to form CeDy12 cuboctahedra that share corners with four equivalent CeDy12 cuboctahedra, corners with eight equivalent DyCe4Dy8 cuboctahedra, edges with eight equivalent CeDy12 cuboctahedra, edges with sixteen equivalent DyCe4Dy8 cuboctahedra, faces with four equivalent CeDy12 cuboctahedra, and faces with fourteen DyCe4Dy8 cuboctahedra.

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