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At least 1,351 records · Page 75
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DOE OSTI2020

Materials Data on CePu4Co3 by Materials Project

Pu4CeCo3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Pu sites. In the first Pu site, Pu is bonded in a 2-coordinate geometry to one Pu and four equivalent Co atoms. The Pu–Pu bond length is 2.82 Å. There are a spread of Pu–Co bond distances ranging from 2.45–3.17 Å. In the second Pu site, Pu is bonded in a 4-coordinate geometry to one Pu, two equivalent Ce, and six Co atoms. There are one shorter (3.17 Å) and one longer (3.19 Å) Pu–Ce bond lengths. There are a spread of Pu–Co bond distances ranging from 2.64–3.27 Å. Ce is bonded in a 4-coordinate geometry to four equivalent Pu and four equivalent Co atoms. There are two shorter (2.80 Å) and two longer (2.81 Å) Ce–Co bond lengths. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 10-coordinate geometry to four equivalent Pu atoms. In the second Co site, Co is bonded in a 10-coordinate geometry to eight Pu and two equivalent Ce atoms.

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DOE OSTI2020

Materials Data on Ce3(SiNi3)2 by Materials Project

Ce3Ni6Si2 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Ce is bonded in a 12-coordinate geometry to eight equivalent Ni and four equivalent Si atoms. There are four shorter (2.80 Å) and four longer (3.03 Å) Ce–Ni bond lengths. All Ce–Si bond lengths are 3.13 Å. Ni is bonded in a 12-coordinate geometry to four equivalent Ce, six equivalent Ni, and two equivalent Si atoms. There are four shorter (2.55 Å) and two longer (2.85 Å) Ni–Ni bond lengths. Both Ni–Si bond lengths are 2.46 Å. Si is bonded to six equivalent Ce and six equivalent Ni atoms to form a mixture of corner and face-sharing SiCe6Ni6 cuboctahedra.

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DOE OSTI2020

Materials Data on CeMg2Cu9 by Materials Project

CeMg2Cu9 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mg is bonded in a 12-coordinate geometry to twelve Cu atoms. There are a spread of Mg–Cu bond distances ranging from 2.88–2.96 Å. Ce is bonded in a distorted hexagonal planar geometry to eighteen Cu atoms. There are six shorter (2.91 Å) and twelve longer (3.25 Å) Ce–Cu bond lengths. There are four inequivalent Cu sites. In the first Cu site, Cu is bonded to six equivalent Mg and six equivalent Cu atoms to form CuMg6Cu6 cuboctahedra that share corners with twelve equivalent CuCe2Mg3Cu7 cuboctahedra, edges with six equivalent CuMg6Cu6 cuboctahedra, and faces with eighteen equivalent CuCe2Mg3Cu7 cuboctahedra. All Cu–Cu bond lengths are 2.46 Å. In the second Cu site, Cu is bonded in a 12-coordinate geometry to three equivalent Ce and nine Cu atoms. There are six shorter (2.53 Å) and three longer (2.91 Å) Cu–Cu bond lengths. In the third Cu site, Cu is bonded in a 12-coordinate geometry to three equivalent Ce and nine Cu atoms. All Cu–Cu bond lengths are 2.51 Å. In the fourth Cu site, Cu is bonded to three equivalent Mg, two equivalent Ce, and seven Cu atoms to form CuCe2Mg3Cu7 cuboctahedra that share corners with seventeen CuCe2Mg3Cu7 cuboctahedra, edges with eight equivalent CuCe2Mg3Cu7 cuboctahedra, and faces with fourteen CuMg6Cu6 cuboctahedra. There are two shorter (2.50 Å) and two longer (2.54 Å) Cu–Cu bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeGaNi by Materials Project

CeNiGa crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ce is bonded in a 10-coordinate geometry to four equivalent Ni and six equivalent Ga atoms. There are a spread of Ce–Ni bond distances ranging from 2.89–3.00 Å. There are a spread of Ce–Ga bond distances ranging from 3.07–3.18 Å. Ni is bonded in a 8-coordinate geometry to four equivalent Ce and four equivalent Ga atoms. There are a spread of Ni–Ga bond distances ranging from 2.45–2.56 Å. Ga is bonded in a 10-coordinate geometry to six equivalent Ce and four equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce2ZnHg by Materials Project

Ce2HgZn 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 Hg and four equivalent Zn atoms. All Ce–Hg bond lengths are 3.25 Å. All Ce–Zn bond lengths are 3.25 Å. Hg is bonded in a body-centered cubic geometry to eight equivalent Ce atoms. Zn is bonded in a body-centered cubic geometry to eight equivalent Ce atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce10Si8O3 by Materials Project

Ce10Si8O3 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are three inequivalent Ce3+ sites. In the first Ce3+ site, Ce3+ is bonded in a distorted bent 150 degrees geometry to six Si3- and two equivalent O2- atoms. There are four shorter (3.15 Å) and two longer (3.16 Å) Ce–Si bond lengths. Both Ce–O bond lengths are 2.74 Å. In the second Ce3+ site, Ce3+ is bonded in a distorted linear geometry to four Si3- and two equivalent O2- atoms. There are two shorter (2.95 Å) and two longer (3.06 Å) Ce–Si bond lengths. Both Ce–O bond lengths are 2.25 Å. In the third Ce3+ site, Ce3+ is bonded to twelve equivalent Si3- atoms to form face-sharing CeSi12 cuboctahedra. All Ce–Si bond lengths are 3.26 Å. There are two inequivalent Si3- sites. In the first Si3- site, Si3- is bonded in a 9-coordinate geometry to nine Ce3+ atoms. In the second Si3- site, Si3- is bonded in a 9-coordinate geometry to seven Ce3+ and two equivalent Si3- atoms. Both Si–Si bond lengths are 2.36 Å. O2- is bonded to six Ce3+ atoms to form corner-sharing OCe6 octahedra. The corner-sharing octahedra tilt angles range from 0–29°.

36 MATERIALS SCIENCE↗
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Materials Data on Ce3Ta(ClO2)3 by Materials Project

Ce3Ta(O2Cl)3 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Ce+3.33+ is bonded in a 10-coordinate geometry to six equivalent O2- and four equivalent Cl1- atoms. There are a spread of Ce–O bond distances ranging from 2.34–2.64 Å. There are a spread of Ce–Cl bond distances ranging from 3.03–3.06 Å. Ta5+ is bonded in a distorted pentagonal pyramidal geometry to six equivalent O2- atoms. All Ta–O bond lengths are 2.00 Å. O2- is bonded in a 4-coordinate geometry to three equivalent Ce+3.33+ and one Ta5+ atom. Cl1- is bonded in a 4-coordinate geometry to four equivalent Ce+3.33+ atoms.

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DOE OSTI2020

Materials Data on Ce3GaBr3 by Materials Project

Ce3GaBr3 crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ce is bonded to two equivalent Ga and four equivalent Br atoms to form a mixture of edge and corner-sharing CeGa2Br4 octahedra. The corner-sharing octahedral tilt angles are 0°. Both Ce–Ga bond lengths are 3.02 Å. All Ce–Br bond lengths are 3.02 Å. Ga is bonded to six equivalent Ce atoms to form corner-sharing GaCe6 octahedra. The corner-sharing octahedral tilt angles are 0°. Br is bonded in a square co-planar geometry to four equivalent Ce atoms.

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Materials Data on CeSi2Ir3 by Materials Project

CeIr3Si2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Ce is bonded in a 6-coordinate geometry to twelve equivalent Ir and six equivalent Si atoms. All Ce–Ir bond lengths are 3.36 Å. All Ce–Si bond lengths are 3.22 Å. Ir is bonded in a distorted square co-planar geometry to four equivalent Ce and four equivalent Si atoms. All Ir–Si bond lengths are 2.46 Å. Si is bonded in a 9-coordinate geometry to three equivalent Ce and six equivalent Ir atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce2ZnNi2 by Materials Project

Ce2Ni2Zn crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Ce is bonded in a 10-coordinate geometry to six equivalent Ni and four equivalent Zn atoms. There are two shorter (2.75 Å) and four longer (2.99 Å) Ce–Ni bond lengths. There are two shorter (3.15 Å) and two longer (3.21 Å) Ce–Zn bond lengths. Ni is bonded in a 9-coordinate geometry to six equivalent Ce, one Ni, and two equivalent Zn atoms. The Ni–Ni bond length is 2.55 Å. Both Ni–Zn bond lengths are 2.64 Å. Zn is bonded to eight equivalent Ce and four equivalent Ni atoms to form a mixture of distorted edge and face-sharing ZnCe8Ni4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce3Bi4Pd3 by Materials Project

Ce3Pd3Bi4 crystallizes in the cubic I-43d space group. The structure is three-dimensional. Ce is bonded in a 12-coordinate geometry to four equivalent Pd and eight equivalent Bi atoms. All Ce–Pd bond lengths are 3.09 Å. There are four shorter (3.47 Å) and four longer (3.51 Å) Ce–Bi bond lengths. Pd is bonded in a 8-coordinate geometry to four equivalent Ce and four equivalent Bi atoms. All Pd–Bi bond lengths are 2.83 Å. Bi is bonded in a 9-coordinate geometry to six equivalent Ce and three equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeMnNi4 by Materials Project

CeNi4Mn is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ce is bonded in a 12-coordinate geometry to four equivalent Mn and twelve equivalent Ni atoms. All Ce–Mn bond lengths are 3.00 Å. All Ce–Ni bond lengths are 2.88 Å. Mn is bonded in a 12-coordinate geometry to four equivalent Ce and twelve equivalent Ni atoms. All Mn–Ni bond lengths are 2.87 Å. Ni is bonded to three equivalent Ce, three equivalent Mn, and six equivalent Ni atoms to form a mixture of corner, edge, and face-sharing NiCe3Mn3Ni6 cuboctahedra. There are three shorter (2.43 Å) and three longer (2.48 Å) Ni–Ni bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeBiPd by Materials Project

CePdBi is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ce is bonded to four equivalent Pd and six equivalent Bi atoms to form a mixture of distorted face and corner-sharing CeBi6Pd4 tetrahedra. All Ce–Pd bond lengths are 2.98 Å. All Ce–Bi bond lengths are 3.44 Å. Pd is bonded in a body-centered cubic geometry to four equivalent Ce and four equivalent Bi atoms. All Pd–Bi bond lengths are 2.98 Å. Bi is bonded in a 10-coordinate geometry to six equivalent Ce and four equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeGaPd2 by Materials Project

CePd2Ga crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ce is bonded in a 11-coordinate geometry to eight equivalent Pd and three equivalent Ga atoms. There are a spread of Ce–Pd bond distances ranging from 3.07–3.37 Å. There are a spread of Ce–Ga bond distances ranging from 3.09–3.20 Å. Pd is bonded in a 12-coordinate geometry to four equivalent Ce and three equivalent Ga atoms. There are two shorter (2.58 Å) and one longer (2.71 Å) Pd–Ga bond lengths. Ga is bonded in a 9-coordinate geometry to three equivalent Ce and six equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce2InNi2 by Materials Project

Ce2Ni2In crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Ce is bonded in a 6-coordinate geometry to six equivalent Ni and four equivalent In atoms. There are two shorter (2.81 Å) and four longer (2.93 Å) Ce–Ni bond lengths. All Ce–In bond lengths are 3.33 Å. Ni is bonded in a 9-coordinate geometry to six equivalent Ce, one Ni, and two equivalent In atoms. The Ni–Ni bond length is 2.67 Å. Both Ni–In bond lengths are 2.98 Å. In is bonded to eight equivalent Ce and four equivalent Ni atoms to form a mixture of corner and face-sharing InCe8Ni4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeNiSnH by Materials Project

CeNiSnH crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ce is bonded in a 3-coordinate geometry to six equivalent Sn and three equivalent H atoms. There are a spread of Ce–Sn bond distances ranging from 3.23–3.39 Å. There are one shorter (2.28 Å) and two longer (2.41 Å) Ce–H bond lengths. Ni is bonded in a single-bond geometry to four equivalent Sn and one H atom. There are a spread of Ni–Sn bond distances ranging from 2.68–2.83 Å. The Ni–H bond length is 1.66 Å. Sn is bonded in a 12-coordinate geometry to six equivalent Ce and four equivalent Ni atoms. H is bonded to three equivalent Ce and one Ni atom to form a mixture of edge and corner-sharing HCe3Ni tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeInAg2 by Materials Project

CeAg2In 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 In atoms. All Ce–Ag bond lengths are 3.09 Å. All Ce–In bond lengths are 3.57 Å. Ag is bonded in a body-centered cubic geometry to four equivalent Ce and four equivalent In atoms. All Ag–In bond lengths are 3.09 Å. In is bonded in a distorted body-centered cubic geometry to six equivalent Ce and eight equivalent Ag atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CePPd by Materials Project

CePdP 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 P atoms to form a mixture of edge and face-sharing CeP6Pd6 cuboctahedra. All Ce–Pd bond lengths are 3.13 Å. All Ce–P bond lengths are 3.13 Å. Pd is bonded in a 9-coordinate geometry to six equivalent Ce and three equivalent P atoms. All Pd–P bond lengths are 2.43 Å. P is bonded in a 9-coordinate geometry to six equivalent Ce and three equivalent Pd atoms.

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