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DOE OSTI2020

Materials Data on CeInRh by Materials Project

CeRhIn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Ce is bonded in a 11-coordinate geometry to five Rh and six equivalent In atoms. There are four shorter (3.04 Å) and one longer (3.13 Å) Ce–Rh bond lengths. There are two shorter (3.25 Å) and four longer (3.40 Å) Ce–In bond lengths. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 9-coordinate geometry to three equivalent Ce and six equivalent In atoms. All Rh–In bond lengths are 2.76 Å. In the second Rh site, Rh is bonded in a 9-coordinate geometry to six equivalent Ce and three equivalent In atoms. All Rh–In bond lengths are 2.89 Å. In is bonded in a 10-coordinate geometry to six equivalent Ce and four Rh atoms.

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Materials Data on Ce3Hf by Materials Project

Ce3Hf is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ce is bonded to eight equivalent Ce and four equivalent Hf atoms to form CeCe8Hf4 cuboctahedra that share corners with twelve equivalent CeCe8Hf4 cuboctahedra, edges with eight equivalent HfCe12 cuboctahedra, edges with sixteen equivalent CeCe8Hf4 cuboctahedra, faces with four equivalent HfCe12 cuboctahedra, and faces with fourteen equivalent CeCe8Hf4 cuboctahedra. All Ce–Ce bond lengths are 3.34 Å. All Ce–Hf bond lengths are 3.34 Å. Hf is bonded to twelve equivalent Ce atoms to form HfCe12 cuboctahedra that share corners with twelve equivalent HfCe12 cuboctahedra, edges with twenty-four equivalent CeCe8Hf4 cuboctahedra, faces with six equivalent HfCe12 cuboctahedra, and faces with twelve equivalent CeCe8Hf4 cuboctahedra.

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Materials Data on CeGaCu4 by Materials Project

CeCu4Ga crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Ce is bonded in a distorted hexagonal planar geometry to fourteen Cu and four equivalent Ga atoms. There are a spread of Ce–Cu bond distances ranging from 2.95–3.30 Å. All Ce–Ga bond lengths are 3.30 Å. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 12-coordinate geometry to three equivalent Ce, four equivalent Cu, and two equivalent Ga atoms. All Cu–Cu bond lengths are 2.55 Å. Both Cu–Ga bond lengths are 2.55 Å. In the second Cu site, Cu is bonded to four equivalent Ce, six Cu, and two equivalent Ga atoms to form CuCe4Ga2Cu6 cuboctahedra that share corners with four equivalent GaCe4Cu8 cuboctahedra, corners with twelve equivalent CuCe4Ga2Cu6 cuboctahedra, edges with four equivalent GaCe4Cu8 cuboctahedra, edges with six equivalent CuCe4Ga2Cu6 cuboctahedra, faces with four equivalent GaCe4Cu8 cuboctahedra, and faces with six equivalent CuCe4Ga2Cu6 cuboctahedra. Both Cu–Cu bond lengths are 2.57 Å. Both Cu–Ga bond lengths are 2.56 Å. Ga is bonded to four equivalent Ce and eight Cu atoms to form distorted GaCe4Cu8 cuboctahedra that share corners with eight equivalent CuCe4Ga2Cu6 cuboctahedra, corners with eight equivalent GaCe4Cu8 cuboctahedra, edges with two equivalent GaCe4Cu8 cuboctahedra, edges with eight equivalent CuCe4Ga2Cu6 cuboctahedra, faces with two equivalent GaCe4Cu8 cuboctahedra, and faces with eight equivalent CuCe4Ga2Cu6 cuboctahedra.

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Materials Data on Ce3Ho by Materials Project

HoCe3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ho is bonded to twelve equivalent Ce atoms to form HoCe12 cuboctahedra that share corners with twelve equivalent HoCe12 cuboctahedra, edges with twenty-four equivalent CeCe8Ho4 cuboctahedra, faces with six equivalent HoCe12 cuboctahedra, and faces with twelve equivalent CeCe8Ho4 cuboctahedra. All Ho–Ce bond lengths are 3.44 Å. Ce is bonded to four equivalent Ho and eight equivalent Ce atoms to form CeCe8Ho4 cuboctahedra that share corners with twelve equivalent CeCe8Ho4 cuboctahedra, edges with eight equivalent HoCe12 cuboctahedra, edges with sixteen equivalent CeCe8Ho4 cuboctahedra, faces with four equivalent HoCe12 cuboctahedra, and faces with fourteen equivalent CeCe8Ho4 cuboctahedra. All Ce–Ce bond lengths are 3.44 Å.

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Materials Data on CeNi9Ge4 by Materials Project

CeNi9Ge4 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Ce is bonded in a 8-coordinate geometry to sixteen Ni and eight equivalent Ge atoms. There are eight shorter (3.25 Å) and eight longer (3.38 Å) Ce–Ni bond lengths. All Ce–Ge bond lengths are 3.29 Å. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded in a 4-coordinate geometry to two equivalent Ce, six Ni, and four equivalent Ge atoms. There are a spread of Ni–Ni bond distances ranging from 2.53–2.76 Å. There are two shorter (2.37 Å) and two longer (2.51 Å) Ni–Ge bond lengths. In the second Ni site, Ni is bonded to two equivalent Ce, six Ni, and four equivalent Ge atoms to form a mixture of distorted corner and face-sharing NiCe2Ni6Ge4 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.40–2.59 Å. There are two shorter (2.51 Å) and two longer (2.58 Å) Ni–Ge bond lengths. In the third Ni site, Ni is bonded to eight Ni and four equivalent Ge atoms to form a mixture of corner and face-sharing NiNi8Ge4 cuboctahedra. All Ni–Ge bond lengths are 2.44 Å. Ge is bonded in a 12-coordinate geometry to two equivalent Ce and nine Ni atoms.

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Materials Data on CePu4 by Materials Project

Pu4Ce is alpha La-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are seven inequivalent Pu sites. In the first Pu site, Pu is bonded to nine Pu and three equivalent Ce atoms to form PuCe3Pu9 cuboctahedra that share corners with twelve PuCe3Pu9 cuboctahedra, edges with six equivalent CeCe6Pu6 cuboctahedra, edges with eighteen PuCe3Pu9 cuboctahedra, faces with six equivalent CeCe6Pu6 cuboctahedra, and faces with twelve PuCe3Pu9 cuboctahedra. There are three shorter (3.20 Å) and six longer (3.29 Å) Pu–Pu bond lengths. All Pu–Ce bond lengths are 3.34 Å. In the second Pu site, Pu is bonded to twelve Pu atoms to form PuPu12 cuboctahedra that share corners with three equivalent CeCe6Pu6 cuboctahedra, corners with nine PuCe3Pu9 cuboctahedra, edges with three equivalent CeCe6Pu6 cuboctahedra, edges with twenty-one PuCe3Pu9 cuboctahedra, and faces with eighteen PuCe3Pu9 cuboctahedra. There are three shorter (3.21 Å) and six longer (3.29 Å) Pu–Pu bond lengths. In the third Pu site, Pu is bonded to twelve Pu atoms to form PuPu12 cuboctahedra that share corners with three equivalent CeCe6Pu6 cuboctahedra, corners with nine PuCe3Pu9 cuboctahedra, edges with three equivalent CeCe6Pu6 cuboctahedra, edges with twenty-one PuCe3Pu9 cuboctahedra, and faces with eighteen PuCe3Pu9 cuboctahedra. There are three shorter (3.20 Å) and six longer (3.29 Å) Pu–Pu bond lengths. In the fourth Pu site, Pu is bonded to twelve Pu atoms to form PuPu12 cuboctahedra that share corners with three equivalent CeCe6Pu6 cuboctahedra, corners with nine PuPu12 cuboctahedra, edges with three equivalent CeCe6Pu6 cuboctahedra, edges with twenty-one PuPu12 cuboctahedra, and faces with eighteen PuPu12 cuboctahedra. There are a spread of Pu–Pu bond distances ranging from 3.20–3.29 Å. In the fifth Pu site, Pu is bonded to twelve Pu atoms to form PuPu12 cuboctahedra that share corners with three equivalent CeCe6Pu6 cuboctahedra, corners with nine PuPu12 cuboctahedra, edges with three equivalent CeCe6Pu6 cuboctahedra, edges with twenty-one PuPu12 cuboctahedra, and faces with eighteen PuPu12 cuboctahedra. There are three shorter (3.20 Å) and six longer (3.29 Å) Pu–Pu bond lengths. In the sixth Pu site, Pu is bonded to twelve Pu atoms to form PuPu12 cuboctahedra that share corners with three equivalent CeCe6Pu6 cuboctahedra, corners with nine PuCe3Pu9 cuboctahedra, edges with three equivalent CeCe6Pu6 cuboctahedra, edges with twenty-one PuCe3Pu9 cuboctahedra, and faces with eighteen PuCe3Pu9 cuboctahedra. There are a spread of Pu–Pu bond distances ranging from 3.20–3.29 Å. In the seventh Pu site, Pu is bonded to twelve Pu atoms to form PuPu12 cuboctahedra that share corners with three equivalent CeCe6Pu6 cuboctahedra, corners with nine PuCe3Pu9 cuboctahedra, edges with three equivalent CeCe6Pu6 cuboctahedra, edges with twenty-one PuCe3Pu9 cuboctahedra, and faces with eighteen PuCe3Pu9 cuboctahedra. There are three shorter (3.20 Å) and six longer (3.29 Å) Pu–Pu bond lengths. Ce is bonded to six equivalent Pu and six equivalent Ce atoms to form CeCe6Pu6 cuboctahedra that share corners with six PuPu12 cuboctahedra, corners with six equivalent CeCe6Pu6 cuboctahedra, edges with six equivalent CeCe6Pu6 cuboctahedra, edges with eighteen PuCe3Pu9 cuboctahedra, faces with six equivalent CeCe6Pu6 cuboctahedra, and faces with twelve equivalent PuCe3Pu9 cuboctahedra. All Ce–Ce bond lengths are 3.29 Å.

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Materials Data on Ce2(Ga3Ir)3 by Materials Project

Ce2(IrGa3)3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ce is bonded in a 11-coordinate geometry to eleven Ga atoms. There are a spread of Ce–Ga bond distances ranging from 3.05–3.21 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 8-coordinate geometry to eight Ga atoms. There are a spread of Ir–Ga bond distances ranging from 2.58–2.69 Å. In the second Ir site, Ir is bonded in a 8-coordinate geometry to eight Ga atoms. There are a spread of Ir–Ga bond distances ranging from 2.57–2.67 Å. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Ce, two equivalent Ir, and six Ga atoms. There are four shorter (2.76 Å) and two longer (2.77 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 3-coordinate geometry to three equivalent Ce, three Ir, and three Ga atoms. There are one shorter (2.80 Å) and one longer (2.90 Å) Ga–Ga bond lengths. In the third Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Ce, three Ir, and five Ga atoms. There are two shorter (2.82 Å) and one longer (2.84 Å) Ga–Ga bond lengths. In the fourth Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Ce, two equivalent Ir, and six Ga atoms. The Ga–Ga bond length is 2.73 Å.

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Materials Data on Ce4S3NCl3 by Materials Project

Ce4NS3Cl3 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are two inequivalent Ce3+ sites. In the first Ce3+ site, Ce3+ is bonded in a 1-coordinate geometry to one N3-, three equivalent S2-, and three equivalent Cl1- atoms. The Ce–N bond length is 2.39 Å. All Ce–S bond lengths are 2.84 Å. All Ce–Cl bond lengths are 3.31 Å. In the second Ce3+ site, Ce3+ is bonded in a 1-coordinate geometry to one N3-, four equivalent S2-, and three equivalent Cl1- atoms. The Ce–N bond length is 2.26 Å. There are two shorter (2.90 Å) and two longer (3.20 Å) Ce–S bond lengths. There are one shorter (2.94 Å) and two longer (2.96 Å) Ce–Cl bond lengths. N3- is bonded in a tetrahedral geometry to four Ce3+ atoms. S2- is bonded in a 5-coordinate geometry to five Ce3+ atoms. Cl1- is bonded in a 4-coordinate geometry to four Ce3+ atoms.

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Materials Data on CeMg2 by Materials Project

CeMg2 is alpha Samarium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mg is bonded to nine equivalent Mg and three equivalent Ce atoms to form MgCe3Mg9 cuboctahedra that share corners with six equivalent CeCe6Mg6 cuboctahedra, corners with twelve equivalent MgCe3Mg9 cuboctahedra, edges with six equivalent CeCe6Mg6 cuboctahedra, edges with twelve equivalent MgCe3Mg9 cuboctahedra, faces with seven equivalent CeCe6Mg6 cuboctahedra, and faces with thirteen equivalent MgCe3Mg9 cuboctahedra. There are six shorter (3.14 Å) and three longer (3.27 Å) Mg–Mg bond lengths. All Mg–Ce bond lengths are 3.45 Å. Ce is bonded to six equivalent Mg and six equivalent Ce atoms to form CeCe6Mg6 cuboctahedra that share corners with six equivalent CeCe6Mg6 cuboctahedra, corners with twelve equivalent MgCe3Mg9 cuboctahedra, edges with six equivalent CeCe6Mg6 cuboctahedra, edges with twelve equivalent MgCe3Mg9 cuboctahedra, faces with six equivalent CeCe6Mg6 cuboctahedra, and faces with fourteen equivalent MgCe3Mg9 cuboctahedra. All Ce–Ce bond lengths are 3.14 Å.

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Materials Data on CeCdCu by Materials Project

CeCuCd crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Ce is bonded in a 11-coordinate geometry to five Cu and six equivalent Cd atoms. There are four shorter (3.05 Å) and one longer (3.09 Å) Ce–Cu bond lengths. There are two shorter (3.26 Å) and four longer (3.38 Å) Ce–Cd bond lengths. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 9-coordinate geometry to three equivalent Ce and six equivalent Cd atoms. All Cu–Cd bond lengths are 2.77 Å. In the second Cu site, Cu is bonded in a 9-coordinate geometry to six equivalent Ce and three equivalent Cd atoms. All Cu–Cd bond lengths are 2.87 Å. Cd is bonded in a 12-coordinate geometry to six equivalent Ce and four Cu atoms.

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DOE OSTI2020

Materials Data on CeMg by Materials Project

CeMg is Magnesium-derived structured and crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. Mg is bonded to six equivalent Mg and six equivalent Ce atoms to form MgCe6Mg6 cuboctahedra that share corners with eight equivalent CeCe6Mg6 cuboctahedra, corners with ten equivalent MgCe6Mg6 cuboctahedra, edges with eight equivalent CeCe6Mg6 cuboctahedra, edges with ten equivalent MgCe6Mg6 cuboctahedra, faces with eight equivalent MgCe6Mg6 cuboctahedra, and faces with twelve equivalent CeCe6Mg6 cuboctahedra. There are two shorter (3.10 Å) and four longer (3.16 Å) Mg–Mg bond lengths. There are a spread of Mg–Ce bond distances ranging from 3.39–3.60 Å. Ce is bonded to six equivalent Mg and six equivalent Ce atoms to form CeCe6Mg6 cuboctahedra that share corners with eight equivalent MgCe6Mg6 cuboctahedra, corners with ten equivalent CeCe6Mg6 cuboctahedra, edges with eight equivalent MgCe6Mg6 cuboctahedra, edges with ten equivalent CeCe6Mg6 cuboctahedra, faces with eight equivalent CeCe6Mg6 cuboctahedra, and faces with twelve equivalent MgCe6Mg6 cuboctahedra. All Ce–Ce bond lengths are 3.10 Å.

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Materials Data on LaCe3 by Materials Project

Ce3La is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ce is bonded to eight equivalent Ce and four equivalent La atoms to form CeLa4Ce8 cuboctahedra that share corners with twelve equivalent CeLa4Ce8 cuboctahedra, edges with eight equivalent LaCe12 cuboctahedra, edges with sixteen equivalent CeLa4Ce8 cuboctahedra, faces with four equivalent LaCe12 cuboctahedra, and faces with fourteen equivalent CeLa4Ce8 cuboctahedra. All Ce–Ce bond lengths are 3.39 Å. All Ce–La bond lengths are 3.39 Å. La is bonded to twelve equivalent Ce atoms to form LaCe12 cuboctahedra that share corners with twelve equivalent LaCe12 cuboctahedra, edges with twenty-four equivalent CeLa4Ce8 cuboctahedra, faces with six equivalent LaCe12 cuboctahedra, and faces with twelve equivalent CeLa4Ce8 cuboctahedra.

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Materials Data on YbCe3 by Materials Project

YbCe3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Yb is bonded to twelve equivalent Ce atoms to form YbCe12 cuboctahedra that share corners with twelve equivalent YbCe12 cuboctahedra, edges with twenty-four equivalent CeYb4Ce8 cuboctahedra, faces with six equivalent YbCe12 cuboctahedra, and faces with twelve equivalent CeYb4Ce8 cuboctahedra. All Yb–Ce bond lengths are 3.49 Å. Ce is bonded to four equivalent Yb and eight equivalent Ce atoms to form CeYb4Ce8 cuboctahedra that share corners with twelve equivalent CeYb4Ce8 cuboctahedra, edges with eight equivalent YbCe12 cuboctahedra, edges with sixteen equivalent CeYb4Ce8 cuboctahedra, faces with four equivalent YbCe12 cuboctahedra, and faces with fourteen equivalent CeYb4Ce8 cuboctahedra. All Ce–Ce bond lengths are 3.49 Å.

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Materials Data on CeAg2 by Materials Project

Ag2Ce crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Ce is bonded in a 12-coordinate geometry to two equivalent Ce and twelve equivalent Ag atoms. Both Ce–Ce bond lengths are 3.20 Å. There are a spread of Ce–Ag bond distances ranging from 3.26–3.30 Å. Ag is bonded in a 11-coordinate geometry to six equivalent Ce and five equivalent Ag atoms. There are a spread of Ag–Ag bond distances ranging from 2.84–3.27 Å.

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Materials Data on AcCe3 by Materials Project

AcCe3 is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ac is bonded to twelve equivalent Ce atoms to form AcCe12 cuboctahedra that share corners with six equivalent AcCe12 cuboctahedra, corners with twelve equivalent CeAc4Ce8 cuboctahedra, edges with eighteen equivalent CeAc4Ce8 cuboctahedra, faces with eight equivalent AcCe12 cuboctahedra, and faces with twelve equivalent CeAc4Ce8 cuboctahedra. There are six shorter (3.59 Å) and six longer (3.67 Å) Ac–Ce bond lengths. Ce is bonded to four equivalent Ac and eight equivalent Ce atoms to form CeAc4Ce8 cuboctahedra that share corners with four equivalent AcCe12 cuboctahedra, corners with fourteen equivalent CeAc4Ce8 cuboctahedra, edges with six equivalent AcCe12 cuboctahedra, edges with twelve equivalent CeAc4Ce8 cuboctahedra, faces with four equivalent AcCe12 cuboctahedra, and faces with sixteen equivalent CeAc4Ce8 cuboctahedra. There are a spread of Ce–Ce bond distances ranging from 3.37–3.81 Å.

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Materials Data on Ce4Mg by Materials Project

MgCe4 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional and consists of two MgCe4 frameworks. Mg is bonded in a tetrahedral geometry to four equivalent Ce atoms. All Mg–Ce bond lengths are 3.07 Å. Ce is bonded in a 1-coordinate geometry to one Mg and three equivalent Ce atoms. All Ce–Ce bond lengths are 2.77 Å.

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Materials Data on CeGaNi4 by Materials Project

CeNi4Ga crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Ce is bonded in a 6-coordinate geometry to fourteen Ni and four equivalent Ga atoms. There are a spread of Ce–Ni bond distances ranging from 2.74–3.17 Å. All Ce–Ga bond lengths are 3.24 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Ce, seven Ni, and two equivalent Ga atoms. There are a spread of Ni–Ni bond distances ranging from 2.48–2.85 Å. Both Ni–Ga bond lengths are 2.48 Å. In the second Ni site, Ni is bonded to four equivalent Ce, six Ni, and two equivalent Ga atoms to form NiCe4Ga2Ni6 cuboctahedra that share corners with four equivalent GaCe4Ni8 cuboctahedra, corners with twelve equivalent NiCe4Ga2Ni6 cuboctahedra, edges with four equivalent GaCe4Ni8 cuboctahedra, edges with six equivalent NiCe4Ga2Ni6 cuboctahedra, faces with four equivalent GaCe4Ni8 cuboctahedra, and faces with six equivalent NiCe4Ga2Ni6 cuboctahedra. Both Ni–Ni bond lengths are 2.52 Å. Both Ni–Ga bond lengths are 2.44 Å. Ga is bonded to four equivalent Ce and eight Ni atoms to form distorted GaCe4Ni8 cuboctahedra that share corners with eight equivalent NiCe4Ga2Ni6 cuboctahedra, corners with eight equivalent GaCe4Ni8 cuboctahedra, edges with two equivalent GaCe4Ni8 cuboctahedra, edges with eight equivalent NiCe4Ga2Ni6 cuboctahedra, faces with two equivalent GaCe4Ni8 cuboctahedra, and faces with eight equivalent NiCe4Ga2Ni6 cuboctahedra.

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Materials Data on Ce2Mg by Materials Project

MgCe2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Mg is bonded to two equivalent Mg and ten equivalent Ce atoms to form a mixture of edge and face-sharing MgCe10Mg2 cuboctahedra. Both Mg–Mg bond lengths are 3.16 Å. There are a spread of Mg–Ce bond distances ranging from 3.34–3.46 Å. Ce is bonded in a 11-coordinate geometry to five equivalent Mg and six equivalent Ce atoms. There are a spread of Ce–Ce bond distances ranging from 3.05–3.15 Å.

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