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DOE OSTI2020

Materials Data on Ce2TeSe by Materials Project

Ce2TeSe is Caswellsilverite-like structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded to four equivalent Te and two equivalent Se atoms to form a mixture of edge and corner-sharing CeTe4Se2 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ce–Te bond lengths are 3.07 Å. Both Ce–Se bond lengths are 3.07 Å. In the second Ce site, Ce is bonded to two equivalent Te and four equivalent Se atoms to form CeTe2Se4 octahedra that share corners with six equivalent CeTe2Se4 octahedra and edges with twelve CeTe4Se2 octahedra. The corner-sharing octahedral tilt angles are 0°. Both Ce–Te bond lengths are 3.07 Å. All Ce–Se bond lengths are 3.07 Å. Te is bonded to six Ce atoms to form TeCe6 octahedra that share corners with six equivalent TeCe6 octahedra, edges with four equivalent TeCe6 octahedra, and edges with eight equivalent SeCe6 octahedra. The corner-sharing octahedral tilt angles are 0°. Se is bonded to six Ce atoms to form SeCe6 octahedra that share corners with six equivalent SeCe6 octahedra, edges with four equivalent SeCe6 octahedra, and edges with eight equivalent TeCe6 octahedra. The corner-sharing octahedral tilt angles are 0°.

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Materials Data on Ce2NiPt by Materials Project

Ce2PtNi crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 7-coordinate geometry to four equivalent Pt and three equivalent Ni atoms. All Ce–Pt bond lengths are 2.91 Å. There are one shorter (2.98 Å) and two longer (3.10 Å) Ce–Ni bond lengths. In the second Ce site, Ce is bonded in a 7-coordinate geometry to three equivalent Pt and four equivalent Ni atoms. There are two shorter (3.04 Å) and one longer (3.05 Å) Ce–Pt bond lengths. All Ce–Ni bond lengths are 2.90 Å. Pt is bonded in a 9-coordinate geometry to seven Ce and two equivalent Ni atoms. Both Pt–Ni bond lengths are 2.88 Å. Ni is bonded in a 9-coordinate geometry to seven Ce and two equivalent Pt atoms.

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Materials Data on Ce2CdCu2 by Materials Project

Ce2Cu2Cd crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 10-coordinate geometry to six equivalent Cu and four equivalent Cd atoms. There are a spread of Ce–Cu bond distances ranging from 2.93–3.02 Å. There are two shorter (3.39 Å) and two longer (3.41 Å) Ce–Cd bond lengths. In the second Ce site, Ce is bonded in a 10-coordinate geometry to six equivalent Cu and four equivalent Cd atoms. There are a spread of Ce–Cu bond distances ranging from 2.97–3.07 Å. There are two shorter (3.42 Å) and two longer (3.47 Å) Ce–Cd bond lengths. Cu is bonded in a 9-coordinate geometry to six Ce, two equivalent Cu, and one Cd atom. There are one shorter (2.58 Å) and one longer (2.60 Å) Cu–Cu bond lengths. The Cu–Cd bond length is 2.90 Å. Cd is bonded in a 11-coordinate geometry to eight Ce, two equivalent Cu, and one Cd atom. The Cd–Cd bond length is 3.25 Å.

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Materials Data on Ce2SiPd14 by Materials Project

Ce2Pd14Si crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 8-coordinate geometry to sixteen Pd atoms. There are a spread of Ce–Pd bond distances ranging from 3.08–3.21 Å. In the second Ce site, Ce is bonded in a 8-coordinate geometry to eight Pd atoms. There are four shorter (2.82 Å) and four longer (2.95 Å) Ce–Pd bond lengths. There are four inequivalent Pd sites. In the first Pd site, Pd is bonded in a 1-coordinate geometry to one Ce, one Pd, and one Si atom. The Pd–Pd bond length is 2.91 Å. The Pd–Si bond length is 2.41 Å. In the second Pd site, Pd is bonded in a 3-coordinate geometry to two Ce, two equivalent Pd, and one Si atom. Both Pd–Pd bond lengths are 2.91 Å. The Pd–Si bond length is 2.47 Å. In the third Pd site, Pd is bonded in a 1-coordinate geometry to two Ce and two equivalent Pd atoms. Both Pd–Pd bond lengths are 2.64 Å. In the fourth Pd site, Pd is bonded to two equivalent Ce and ten Pd atoms to form a mixture of face and corner-sharing PdCe2Pd10 cuboctahedra. Si is bonded in a 8-coordinate geometry to eight Pd atoms.

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Materials Data on RbCe3 by Materials Project

RbCe3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Rb is bonded to twelve Ce atoms to form RbCe12 cuboctahedra that share corners with four equivalent RbCe12 cuboctahedra, corners with eight equivalent CeRb4Ce8 cuboctahedra, edges with eight equivalent RbCe12 cuboctahedra, edges with sixteen equivalent CeRb4Ce8 cuboctahedra, faces with four equivalent RbCe12 cuboctahedra, and faces with fourteen CeRb4Ce8 cuboctahedra. There are four shorter (3.69 Å) and eight longer (3.70 Å) Rb–Ce bond lengths. There are two inequivalent Ce sites. In the first Ce site, Ce is bonded to four equivalent Rb and eight Ce atoms to form CeRb4Ce8 cuboctahedra that share corners with twelve equivalent CeRb4Ce8 cuboctahedra, edges with eight equivalent RbCe12 cuboctahedra, edges with sixteen CeRb4Ce8 cuboctahedra, faces with four equivalent RbCe12 cuboctahedra, and faces with fourteen CeRb4Ce8 cuboctahedra. There are four shorter (3.69 Å) and four longer (3.70 Å) Ce–Ce bond lengths. In the second Ce site, Ce is bonded to four equivalent Rb and eight equivalent Ce atoms to form CeRb4Ce8 cuboctahedra that share corners with four equivalent CeRb4Ce8 cuboctahedra, corners with eight equivalent RbCe12 cuboctahedra, edges with twenty-four CeRb4Ce8 cuboctahedra, faces with six equivalent RbCe12 cuboctahedra, and faces with twelve CeRb4Ce8 cuboctahedra.

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Materials Data on Ce3Eu by Materials Project

EuCe3 is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Eu is bonded to twelve Ce atoms to form EuCe12 cuboctahedra that share corners with four equivalent EuCe12 cuboctahedra, corners with eight equivalent CeCe8Eu4 cuboctahedra, edges with eight equivalent EuCe12 cuboctahedra, edges with sixteen equivalent CeCe8Eu4 cuboctahedra, faces with four equivalent EuCe12 cuboctahedra, and faces with fourteen CeCe8Eu4 cuboctahedra. There are four shorter (3.41 Å) and eight longer (3.44 Å) Eu–Ce bond lengths. There are two inequivalent Ce sites. In the first Ce site, Ce is bonded to four equivalent Eu and eight Ce atoms to form CeCe8Eu4 cuboctahedra that share corners with twelve equivalent CeCe8Eu4 cuboctahedra, edges with eight equivalent EuCe12 cuboctahedra, edges with sixteen CeCe8Eu4 cuboctahedra, faces with four equivalent EuCe12 cuboctahedra, and faces with fourteen CeCe8Eu4 cuboctahedra. There are four shorter (3.41 Å) and four longer (3.44 Å) Ce–Ce bond lengths. In the second Ce site, Ce is bonded to four equivalent Eu and eight equivalent Ce atoms to form CeCe8Eu4 cuboctahedra that share corners with four equivalent CeCe8Eu4 cuboctahedra, corners with eight equivalent EuCe12 cuboctahedra, edges with twenty-four CeCe8Eu4 cuboctahedra, faces with six equivalent EuCe12 cuboctahedra, and faces with twelve CeCe8Eu4 cuboctahedra.

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Materials Data on Ce3Ga2 by Materials Project

Ce3Ga2 crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. there are three inequivalent Ce sites. In the first Ce site, Ce is bonded in a distorted square co-planar geometry to four equivalent Ga atoms. All Ce–Ga bond lengths are 3.36 Å. In the second Ce site, Ce is bonded in a 6-coordinate geometry to six equivalent Ga atoms. There are two shorter (3.06 Å) and four longer (3.09 Å) Ce–Ga bond lengths. In the third Ce site, Ce is bonded in a 6-coordinate geometry to six equivalent Ga atoms. There are two shorter (3.02 Å) and four longer (3.18 Å) Ce–Ga bond lengths. Ga is bonded in a 10-coordinate geometry to eight Ce and two equivalent Ga atoms. There are one shorter (2.85 Å) and one longer (2.91 Å) Ga–Ga bond lengths.

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Materials Data on SrCe3V4O16 by Materials Project

SrCe3V4O16 is Zircon-derived structured and crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.48 Å) and four longer (2.61 Å) Sr–O bond lengths. There are two inequivalent Ce+3.33+ sites. In the first Ce+3.33+ site, Ce+3.33+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.40 Å) and four longer (2.51 Å) Ce–O bond lengths. In the second Ce+3.33+ site, Ce+3.33+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ce–O bond distances ranging from 2.39–2.52 Å. There are three inequivalent V5+ sites. In the first V5+ site, V5+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.72 Å) and two longer (1.77 Å) V–O bond length. In the second V5+ site, V5+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All V–O bond lengths are 1.75 Å. In the third V5+ site, V5+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All V–O bond lengths are 1.75 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two Ce+3.33+ and one V5+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one Sr2+, one Ce+3.33+, and one V5+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two Ce+3.33+ and one V5+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to one Sr2+, one Ce+3.33+, and one V5+ atom.

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Materials Data on CeIr3 by Materials Project

CeIr3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 12-coordinate geometry to twelve Ir atoms. There are a spread of Ce–Ir bond distances ranging from 3.06–3.35 Å. In the second Ce site, Ce is bonded in a distorted hexagonal planar geometry to eighteen Ir atoms. There are six shorter (3.08 Å) and twelve longer (3.45 Å) Ce–Ir bond lengths. There are four inequivalent Ir sites. In the first Ir site, Ir is bonded to five Ce and seven Ir atoms to form a mixture of distorted edge, face, and corner-sharing IrCe5Ir7 cuboctahedra. There are a spread of Ir–Ir bond distances ranging from 2.65–2.72 Å. In the second Ir site, Ir is bonded in a 12-coordinate geometry to three equivalent Ce and nine Ir atoms. All Ir–Ir bond lengths are 3.08 Å. In the third Ir site, Ir is bonded in a 12-coordinate geometry to three equivalent Ce and nine Ir atoms. In the fourth Ir site, Ir is bonded to six equivalent Ce and six equivalent Ir atoms to form IrCe6Ir6 cuboctahedra that share corners with twelve equivalent IrCe5Ir7 cuboctahedra, edges with six equivalent IrCe6Ir6 cuboctahedra, and faces with eighteen equivalent IrCe5Ir7 cuboctahedra.

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Materials Data on Ce3Th by Materials Project

ThCe3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Th is bonded to twelve Ce atoms to form ThCe12 cuboctahedra that share corners with four equivalent ThCe12 cuboctahedra, corners with eight equivalent CeCe8Th4 cuboctahedra, edges with eight equivalent ThCe12 cuboctahedra, edges with sixteen equivalent CeCe8Th4 cuboctahedra, faces with four equivalent ThCe12 cuboctahedra, and faces with fourteen CeCe8Th4 cuboctahedra. There are eight shorter (3.39 Å) and four longer (3.42 Å) Th–Ce bond lengths. There are two inequivalent Ce sites. In the first Ce site, Ce is bonded to four equivalent Th and eight Ce atoms to form CeCe8Th4 cuboctahedra that share corners with twelve equivalent CeCe8Th4 cuboctahedra, edges with eight equivalent ThCe12 cuboctahedra, edges with sixteen CeCe8Th4 cuboctahedra, faces with four equivalent ThCe12 cuboctahedra, and faces with fourteen CeCe8Th4 cuboctahedra. There are four shorter (3.39 Å) and four longer (3.42 Å) Ce–Ce bond lengths. In the second Ce site, Ce is bonded to four equivalent Th and eight equivalent Ce atoms to form CeCe8Th4 cuboctahedra that share corners with four equivalent CeCe8Th4 cuboctahedra, corners with eight equivalent ThCe12 cuboctahedra, edges with twenty-four CeCe8Th4 cuboctahedra, faces with six equivalent ThCe12 cuboctahedra, and faces with twelve CeCe8Th4 cuboctahedra.

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Materials Data on CeMg14C by Materials Project

Mg14CeC crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are seven inequivalent Mg sites. In the first Mg site, Mg is bonded to twelve Mg atoms to form corner-sharing MgMg12 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 2.96–3.35 Å. In the second Mg site, Mg is bonded in a 10-coordinate geometry to ten Mg atoms. There are a spread of Mg–Mg bond distances ranging from 3.20–3.42 Å. In the third Mg site, Mg is bonded in a single-bond geometry to two equivalent Mg, two equivalent Ce, and one C atom. Both Mg–Mg bond lengths are 3.33 Å. There are one shorter (3.23 Å) and one longer (3.43 Å) Mg–Ce bond lengths. The Mg–C bond length is 2.39 Å. In the fourth Mg site, Mg is bonded in a 10-coordinate geometry to ten Mg atoms. There are a spread of Mg–Mg bond distances ranging from 2.92–3.15 Å. In the fifth Mg site, Mg is bonded in a 10-coordinate geometry to five Mg and one Ce atom. There are one shorter (3.22 Å) and one longer (3.43 Å) Mg–Mg bond lengths. The Mg–Ce bond length is 3.33 Å. In the sixth Mg site, Mg is bonded in a 12-coordinate geometry to eleven Mg and one Ce atom. Both Mg–Mg bond lengths are 3.24 Å. The Mg–Ce bond length is 3.16 Å. In the seventh Mg site, Mg is bonded in a single-bond geometry to two equivalent Mg, two equivalent Ce, and one C atom. Both Mg–Ce bond lengths are 3.49 Å. The Mg–C bond length is 2.44 Å. Ce is bonded in a 2-coordinate geometry to fourteen Mg and two equivalent C atoms. Both Ce–C bond lengths are 3.08 Å. C is bonded in a 6-coordinate geometry to four Mg and two equivalent Ce atoms.

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Materials Data on TbCe3 by Materials Project

TbCe3 is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Tb is bonded to twelve Ce atoms to form TbCe12 cuboctahedra that share corners with four equivalent TbCe12 cuboctahedra, corners with eight equivalent CeTb4Ce8 cuboctahedra, edges with eight equivalent TbCe12 cuboctahedra, edges with sixteen equivalent CeTb4Ce8 cuboctahedra, faces with four equivalent TbCe12 cuboctahedra, and faces with fourteen CeTb4Ce8 cuboctahedra. There are four shorter (3.39 Å) and eight longer (3.42 Å) Tb–Ce bond lengths. There are two inequivalent Ce sites. In the first Ce site, Ce is bonded to four equivalent Tb and eight Ce atoms to form CeTb4Ce8 cuboctahedra that share corners with twelve equivalent CeTb4Ce8 cuboctahedra, edges with eight equivalent TbCe12 cuboctahedra, edges with sixteen CeTb4Ce8 cuboctahedra, faces with four equivalent TbCe12 cuboctahedra, and faces with fourteen CeTb4Ce8 cuboctahedra. There are four shorter (3.39 Å) and four longer (3.42 Å) Ce–Ce bond lengths. In the second Ce site, Ce is bonded to four equivalent Tb and eight equivalent Ce atoms to form CeTb4Ce8 cuboctahedra that share corners with four equivalent CeTb4Ce8 cuboctahedra, corners with eight equivalent TbCe12 cuboctahedra, edges with twenty-four CeTb4Ce8 cuboctahedra, faces with six equivalent TbCe12 cuboctahedra, and faces with twelve CeTb4Ce8 cuboctahedra.

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Materials Data on Ce3Al11 by Materials Project

Al11Ce3 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 12-coordinate geometry to fourteen Al atoms. There are a spread of Ce–Al bond distances ranging from 3.19–3.60 Å. In the second Ce site, Ce is bonded to sixteen Al atoms to form distorted CeAl16 cuboctahedra that share corners with four equivalent AlCe4Al8 cuboctahedra, faces with two equivalent CeAl16 cuboctahedra, and faces with six AlCe4Al8 cuboctahedra. There are a spread of Ce–Al bond distances ranging from 3.26–3.59 Å. There are four inequivalent Al sites. In the first Al site, Al is bonded in a 9-coordinate geometry to four Ce and five Al atoms. There are a spread of Al–Al bond distances ranging from 2.60–2.73 Å. In the second Al site, Al is bonded to four Ce and eight Al atoms to form distorted AlCe4Al8 cuboctahedra that share corners with four equivalent AlCe4Al8 cuboctahedra, an edgeedge with one AlCe4Al8 cuboctahedra, faces with two equivalent CeAl16 cuboctahedra, and faces with five AlCe4Al8 cuboctahedra. There are four shorter (2.81 Å) and two longer (3.05 Å) Al–Al bond lengths. In the third Al site, Al is bonded in a 10-coordinate geometry to four Ce and six Al atoms. The Al–Al bond length is 2.87 Å. In the fourth Al site, Al is bonded to four equivalent Ce and eight Al atoms to form distorted AlCe4Al8 cuboctahedra that share corners with four equivalent CeAl16 cuboctahedra, faces with two equivalent CeAl16 cuboctahedra, and faces with six AlCe4Al8 cuboctahedra.

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Materials Data on CeGaAg by Materials Project

CeAgGa crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 12-coordinate geometry to six equivalent Ag and six equivalent Ga atoms. There are two shorter (3.19 Å) and four longer (3.20 Å) Ce–Ag bond lengths. There are two shorter (3.26 Å) and four longer (3.36 Å) Ce–Ga bond lengths. In the second Ce site, Ce is bonded in a 12-coordinate geometry to six equivalent Ag and six equivalent Ga atoms. All Ce–Ag bond lengths are 3.30 Å. There are four shorter (3.15 Å) and two longer (3.26 Å) Ce–Ga bond lengths. Ag is bonded in a 10-coordinate geometry to six Ce, one Ag, and three equivalent Ga atoms. The Ag–Ag bond length is 3.04 Å. There are two shorter (2.69 Å) and one longer (2.72 Å) Ag–Ga bond lengths. Ga is bonded in a 10-coordinate geometry to six Ce, three equivalent Ag, and one Ga atom. The Ga–Ga bond length is 2.84 Å.

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Materials Data on Ce3Er by Materials Project

ErCe3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Er is bonded to twelve Ce atoms to form ErCe12 cuboctahedra that share corners with four equivalent ErCe12 cuboctahedra, corners with eight equivalent CeCe8Er4 cuboctahedra, edges with eight equivalent ErCe12 cuboctahedra, edges with sixteen equivalent CeCe8Er4 cuboctahedra, faces with four equivalent ErCe12 cuboctahedra, and faces with fourteen CeCe8Er4 cuboctahedra. There are four shorter (3.41 Å) and eight longer (3.45 Å) Er–Ce bond lengths. There are two inequivalent Ce sites. In the first Ce site, Ce is bonded to four equivalent Er and eight Ce atoms to form CeCe8Er4 cuboctahedra that share corners with twelve equivalent CeCe8Er4 cuboctahedra, edges with eight equivalent ErCe12 cuboctahedra, edges with sixteen CeCe8Er4 cuboctahedra, faces with four equivalent ErCe12 cuboctahedra, and faces with fourteen CeCe8Er4 cuboctahedra. There are four shorter (3.41 Å) and four longer (3.45 Å) Ce–Ce bond lengths. In the second Ce site, Ce is bonded to four equivalent Er and eight equivalent Ce atoms to form CeCe8Er4 cuboctahedra that share corners with four equivalent CeCe8Er4 cuboctahedra, corners with eight equivalent ErCe12 cuboctahedra, edges with twenty-four CeCe8Er4 cuboctahedra, faces with six equivalent ErCe12 cuboctahedra, and faces with twelve CeCe8Er4 cuboctahedra.

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Materials Data on Ce2SbTe by Materials Project

Ce2SbTe is Caswellsilverite-like structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded to two equivalent Sb and four equivalent Te atoms to form a mixture of edge and corner-sharing CeSb2Te4 octahedra. The corner-sharing octahedral tilt angles are 0°. Both Ce–Sb bond lengths are 3.18 Å. All Ce–Te bond lengths are 3.18 Å. In the second Ce site, Ce is bonded to four equivalent Sb and two equivalent Te atoms to form CeSb4Te2 octahedra that share corners with six equivalent CeSb4Te2 octahedra and edges with twelve CeSb2Te4 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ce–Sb bond lengths are 3.18 Å. Both Ce–Te bond lengths are 3.18 Å. Sb is bonded to six Ce atoms to form SbCe6 octahedra that share corners with six equivalent SbCe6 octahedra, edges with four equivalent SbCe6 octahedra, and edges with eight equivalent TeCe6 octahedra. The corner-sharing octahedral tilt angles are 0°. Te is bonded to six Ce atoms to form TeCe6 octahedra that share corners with six equivalent TeCe6 octahedra, edges with four equivalent TeCe6 octahedra, and edges with eight equivalent SbCe6 octahedra. The corner-sharing octahedral tilt angles are 0°.

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Materials Data on Ce3UO8 by Materials Project

UCe3O8 is alpha bismuth trifluoride-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. U6+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are two shorter (2.15 Å) and six longer (2.33 Å) U–O bond lengths. There are two inequivalent Ce+3.33+ sites. In the first Ce+3.33+ site, Ce+3.33+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Ce–O bond distances ranging from 2.32–2.48 Å. In the second Ce+3.33+ site, Ce+3.33+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are six shorter (2.38 Å) and two longer (2.44 Å) Ce–O bond lengths. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to four Ce+3.33+ atoms to form a mixture of edge and corner-sharing OCe4 tetrahedra. In the second O2- site, O2- is bonded to one U6+ and three equivalent Ce+3.33+ atoms to form OCe3U tetrahedra that share corners with sixteen OCe4 tetrahedra and edges with six OCeU3 tetrahedra. In the third O2- site, O2- is bonded to three equivalent U6+ and one Ce+3.33+ atom to form OCeU3 tetrahedra that share corners with sixteen OCe4 tetrahedra and edges with six OCe3U tetrahedra. In the fourth O2- site, O2- is bonded to four Ce+3.33+ atoms to form a mixture of edge and corner-sharing OCe4 tetrahedra.

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Materials Data on Ce2Bi by Materials Project

Ce2Bi crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 4-coordinate geometry to four equivalent Ce and four equivalent Bi atoms. All Ce–Ce bond lengths are 3.22 Å. All Ce–Bi bond lengths are 3.37 Å. In the second Ce site, Ce is bonded to five equivalent Bi atoms to form a mixture of distorted edge and corner-sharing CeBi5 square pyramids. There are four shorter (3.28 Å) and one longer (3.36 Å) Ce–Bi bond lengths. Bi is bonded in a 9-coordinate geometry to nine Ce atoms.

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