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DOE OSTI2020

Materials Data on Ce3(CuGe)4 by Materials Project

Ce3Cu4Ge4 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 to six Ge atoms to form distorted edge-sharing CeGe6 octahedra. There are four shorter (3.00 Å) and two longer (3.06 Å) Ce–Ge bond lengths. In the second Ce site, Ce is bonded in a 12-coordinate geometry to six equivalent Cu and six Ge atoms. There are four shorter (3.05 Å) and two longer (3.11 Å) Ce–Cu bond lengths. There are two shorter (3.06 Å) and four longer (3.14 Å) Ce–Ge bond lengths. Cu is bonded in a 10-coordinate geometry to three equivalent Ce, one Cu, and four Ge atoms. The Cu–Cu bond length is 2.50 Å. There are a spread of Cu–Ge bond distances ranging from 2.49–2.66 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to three Ce and six equivalent Cu atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six Ce, two equivalent Cu, and one Ge atom. The Ge–Ge bond length is 2.54 Å.

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Materials Data on Ce3Sn7 by Materials Project

Ce3Sn7 crystallizes in the orthorhombic Cmmm 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 ten Sn atoms. There are a spread of Ce–Sn bond distances ranging from 3.24–3.56 Å. In the second Ce site, Ce is bonded to twelve Sn atoms to form a mixture of corner and face-sharing CeSn12 cuboctahedra. There are a spread of Ce–Sn bond distances ranging from 3.26–3.36 Å. There are four inequivalent Sn sites. In the first Sn site, Sn is bonded in a 8-coordinate geometry to six equivalent Ce and two equivalent Sn atoms. Both Sn–Sn bond lengths are 3.11 Å. In the second Sn site, Sn is bonded in a distorted rectangular see-saw-like geometry to four Ce atoms. In the third Sn site, Sn is bonded in a distorted square co-planar geometry to four equivalent Ce atoms. In the fourth Sn site, Sn is bonded in a distorted rectangular see-saw-like geometry to four Ce atoms.

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Materials Data on Ce3Ga4Cl by Materials Project

Ce3Ga4Cl crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 2-coordinate geometry to eight equivalent Ga and two equivalent Cl atoms. There are a spread of Ce–Ga bond distances ranging from 3.11–3.41 Å. Both Ce–Cl bond lengths are 3.01 Å. In the second Ce site, Ce is bonded in a distorted linear geometry to eight equivalent Ga and two equivalent Cl atoms. All Ce–Ga bond lengths are 3.14 Å. Both Ce–Cl bond lengths are 2.78 Å. Ga is bonded in a 9-coordinate geometry to six Ce and three equivalent Ga atoms. There are two shorter (2.62 Å) and one longer (2.71 Å) Ga–Ga bond lengths. Cl is bonded to six Ce atoms to form corner-sharing ClCe6 octahedra. The corner-sharing octahedra tilt angles range from 0–40°.

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Materials Data on Ce7Ru3 by Materials Project

Ce7Ru3 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are three inequivalent Ce sites. In the first Ce site, Ce is bonded in a distorted water-like geometry to four equivalent Ru atoms. There are two shorter (2.83 Å) and two longer (3.42 Å) Ce–Ru bond lengths. In the second Ce site, Ce is bonded in a 3-coordinate geometry to four equivalent Ru atoms. There are a spread of Ce–Ru bond distances ranging from 2.70–3.40 Å. In the third Ce site, Ce is bonded in a 3-coordinate geometry to three equivalent Ru atoms. All Ce–Ru bond lengths are 2.97 Å. Ru is bonded in a 6-coordinate geometry to nine Ce atoms.

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Materials Data on Li2Ce2Ge3 by Materials Project

Ce2Li2Ge3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Li is bonded to three equivalent Ce and four Ge atoms to form a mixture of distorted edge, face, and corner-sharing LiCe3Ge4 tetrahedra. There are one shorter (3.13 Å) and two longer (3.16 Å) Li–Ce bond lengths. There are a spread of Li–Ge bond distances ranging from 2.54–2.71 Å. There are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 12-coordinate geometry to six equivalent Li and six Ge atoms. There are four shorter (3.10 Å) and two longer (3.20 Å) Ce–Ge bond lengths. In the second Ce site, Ce is bonded in a 5-coordinate geometry to nine Ge atoms. There are a spread of Ce–Ge bond distances ranging from 3.11–3.33 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 6-coordinate geometry to six equivalent Li and three Ce atoms. In the second Ge site, Ge is bonded in a 1-coordinate geometry to one Li, six Ce, and two equivalent Ge atoms. There are one shorter (2.52 Å) and one longer (2.55 Å) Ge–Ge bond lengths.

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Materials Data on Ce5Pb3O by Materials Project

Ce5Pb3O crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a distorted single-bond geometry to five Pb and one O atom. There are a spread of Ce–Pb bond distances ranging from 3.28–3.54 Å. The Ce–O bond length is 2.35 Å. In the second Ce site, Ce is bonded to six Pb atoms to form corner-sharing CePb6 octahedra. The corner-sharing octahedra tilt angles range from 0–46°. There are four shorter (3.30 Å) and two longer (3.59 Å) Ce–Pb bond lengths. There are two inequivalent Pb sites. In the first Pb site, Pb is bonded in a 8-coordinate geometry to eight Ce atoms. In the second Pb site, Pb is bonded in a distorted q6 geometry to ten Ce atoms. O is bonded in a tetrahedral geometry to four equivalent Ce atoms.

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Materials Data on Ce3(AgSn)4 by Materials Project

Ce3Ag4Sn4 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 to six Sn atoms to form distorted edge-sharing CeSn6 octahedra. There are four shorter (3.28 Å) and two longer (3.36 Å) Ce–Sn bond lengths. In the second Ce site, Ce is bonded in a 12-coordinate geometry to six equivalent Ag and six Sn atoms. There are four shorter (3.34 Å) and two longer (3.45 Å) Ce–Ag bond lengths. There are two shorter (3.38 Å) and four longer (3.43 Å) Ce–Sn bond lengths. Ag is bonded in a 10-coordinate geometry to three equivalent Ce, one Ag, and four Sn atoms. The Ag–Ag bond length is 2.88 Å. There are a spread of Ag–Sn bond distances ranging from 2.76–2.90 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 9-coordinate geometry to three Ce and six equivalent Ag atoms. In the second Sn site, Sn is bonded in a 9-coordinate geometry to six Ce, two equivalent Ag, and one Sn atom. The Sn–Sn bond length is 2.89 Å.

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Materials Data on Ce3(CuSn)4 by Materials Project

Ce3Cu4Sn4 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 six equivalent Cu and six Sn atoms. There are four shorter (3.24 Å) and two longer (3.25 Å) Ce–Cu bond lengths. There are two shorter (3.23 Å) and four longer (3.36 Å) Ce–Sn bond lengths. In the second Ce site, Ce is bonded to six Sn atoms to form distorted edge-sharing CeSn6 octahedra. There are four shorter (3.11 Å) and two longer (3.24 Å) Ce–Sn bond lengths. Cu is bonded in a 10-coordinate geometry to three equivalent Ce, one Cu, and four Sn atoms. The Cu–Cu bond length is 2.56 Å. There are a spread of Cu–Sn bond distances ranging from 2.63–2.81 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 9-coordinate geometry to three Ce and six equivalent Cu atoms. In the second Sn site, Sn is bonded in a 9-coordinate geometry to six Ce, two equivalent Cu, and one Sn atom. The Sn–Sn bond length is 2.82 Å.

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Materials Data on CeNi3 by Materials Project

CeNi3 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 Ni atoms. There are a spread of Ce–Ni bond distances ranging from 2.84–3.13 Å. In the second Ce site, Ce is bonded in a distorted hexagonal planar geometry to eighteen Ni atoms. There are six shorter (2.85 Å) and twelve longer (3.20 Å) Ce–Ni bond lengths. There are four inequivalent Ni sites. In the first Ni site, Ni is bonded to five Ce and seven Ni atoms to form distorted NiCe5Ni7 cuboctahedra that share corners with seventeen NiCe6Ni6 cuboctahedra, edges with eight equivalent NiCe5Ni7 cuboctahedra, and faces with fourteen NiCe5Ni7 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.46–2.53 Å. In the second Ni site, Ni is bonded to six equivalent Ce and six equivalent Ni atoms to form NiCe6Ni6 cuboctahedra that share corners with twelve equivalent NiCe5Ni7 cuboctahedra, edges with six equivalent NiCe6Ni6 cuboctahedra, and faces with eighteen equivalent NiCe5Ni7 cuboctahedra. In the third Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Ce and nine Ni atoms. All Ni–Ni bond lengths are 2.85 Å. In the fourth Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Ce and nine Ni atoms.

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Materials Data on CeCd11 by Materials Project

CeCd11 crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ce is bonded in a 12-coordinate geometry to twenty Cd atoms. There are a spread of Ce–Cd bond distances ranging from 3.59–3.89 Å. There are seven inequivalent Cd sites. In the first Cd site, Cd is bonded in a distorted q6 geometry to two equivalent Ce and eight Cd atoms. There are four shorter (2.95 Å) and four longer (3.03 Å) Cd–Cd bond lengths. In the second Cd site, Cd is bonded in a 10-coordinate geometry to one Ce and nine Cd atoms. The Cd–Ce bond length is 3.59 Å. All Cd–Cd bond lengths are 3.14 Å. In the third Cd site, Cd is bonded in a 9-coordinate geometry to three equivalent Ce and six Cd atoms. All Cd–Cd bond lengths are 2.96 Å. In the fourth Cd site, Cd is bonded in a 10-coordinate geometry to one Ce and nine Cd atoms. All Cd–Cd bond lengths are 3.14 Å. In the fifth Cd site, Cd is bonded in a 10-coordinate geometry to one Ce and nine Cd atoms. The Cd–Ce bond length is 3.59 Å. Both Cd–Cd bond lengths are 3.14 Å. In the sixth Cd site, Cd is bonded in a 10-coordinate geometry to one Ce and nine Cd atoms. The Cd–Ce bond length is 3.59 Å. There are four shorter (3.03 Å) and four longer (3.14 Å) Cd–Cd bond lengths. In the seventh Cd site, Cd is bonded in a cuboctahedral geometry to twelve Cd atoms.

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Materials Data on CeP4(ClO)13 by Materials Project

CeP4(OCl)13 is alpha structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two CeP4(OCl)13 clusters. Ce is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Ce–O bond distances ranging from 2.40–2.69 Å. There are four inequivalent P sites. In the first P site, P is bonded in a tetrahedral geometry to one O and three Cl atoms. The P–O bond length is 1.48 Å. There is one shorter (1.99 Å) and two longer (2.00 Å) P–Cl bond length. In the second P site, P is bonded in a tetrahedral geometry to one O and three Cl atoms. The P–O bond length is 1.48 Å. There is one shorter (1.98 Å) and two longer (1.99 Å) P–Cl bond length. In the third P site, P is bonded in a tetrahedral geometry to two O and two Cl atoms. Both P–O bond lengths are 1.50 Å. There are one shorter (2.02 Å) and one longer (2.04 Å) P–Cl bond lengths. In the fourth P site, P is bonded in a tetrahedral geometry to one O and three Cl atoms. The P–O bond length is 1.48 Å. There are two shorter (1.99 Å) and one longer (2.01 Å) P–Cl bond lengths. There are thirteen inequivalent O sites. In the first O site, O is bonded in a distorted bent 150 degrees geometry to one Ce and one P atom. In the second O site, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.44 Å. In the third O site, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.44 Å. In the fourth O site, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.44 Å. In the fifth O site, O is bonded in a water-like geometry to one Ce and one Cl atom. The O–Cl bond length is 1.50 Å. In the sixth O site, O is bonded in a water-like geometry to one Ce and one Cl atom. The O–Cl bond length is 1.49 Å. In the seventh O site, O is bonded in a distorted linear geometry to one Ce and one P atom. In the eighth O site, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.44 Å. In the ninth O site, O is bonded in a water-like geometry to one Ce and one Cl atom. The O–Cl bond length is 1.50 Å. In the tenth O site, O is bonded in a distorted bent 150 degrees geometry to one Ce and one P atom. In the eleventh O site, O is bonded in a distorted linear geometry to one Ce and one P atom. In the twelfth O site, O is bonded in a distorted water-like geometry to one Ce and one Cl atom. The O–Cl bond length is 1.49 Å. In the thirteenth O site, O is bonded in a distorted bent 150 degrees geometry to one Ce and one P atom. There are thirteen inequivalent Cl sites. In the first Cl site, Cl is bonded in a single-bond geometry to one P atom. In the second Cl site, Cl is bonded in a single-bond geometry to one P atom. In the third Cl site, Cl is bonded in a single-bond geometry to one P atom. In the fourth Cl site, Cl is bonded in a single-bond geometry to one P atom. In the fifth Cl site, Cl is bonded in a tetrahedral geometry to four O atoms. In the sixth Cl site, Cl is bonded in a single-bond geometry to one P atom. In the seventh Cl site, Cl is bonded in a tetrahedral geometry to four O atoms. In the eighth Cl site, Cl is bonded in a single-bond geometry to one P atom. In the ninth Cl site, Cl is bonded in a single-bond geometry to one P atom. In the tenth Cl site, Cl is bonded in a single-bond geometry to one P atom. In the eleventh Cl site, Cl is bonded in a single-bond geometry to one P atom. In the twelfth Cl site, Cl is bonded in a single-bond geometry to one P atom. In the thirteenth Cl site, Cl is bonded in a single-bond geometry to one P atom.

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Materials Data on CeAl5Pt3 by Materials Project

CePt3Al5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ce is bonded in a 11-coordinate geometry to six Pt and eleven Al atoms. There are a spread of Ce–Pt bond distances ranging from 3.23–3.26 Å. There are a spread of Ce–Al bond distances ranging from 3.23–3.59 Å. There are three inequivalent Pt sites. In the first Pt site, Pt is bonded in a 9-coordinate geometry to two equivalent Ce and seven Al atoms. There are a spread of Pt–Al bond distances ranging from 2.52–2.64 Å. In the second Pt site, Pt is bonded in a 9-coordinate geometry to two equivalent Ce and seven Al atoms. There are a spread of Pt–Al bond distances ranging from 2.50–2.68 Å. In the third Pt site, Pt is bonded in a 9-coordinate geometry to two equivalent Ce and seven Al atoms. There are a spread of Pt–Al bond distances ranging from 2.52–2.73 Å. There are five inequivalent Al sites. In the first Al site, Al is bonded in a 5-coordinate geometry to one Ce and five Pt atoms. In the second Al site, Al is bonded in a 4-coordinate geometry to one Ce and four Pt atoms. In the third Al site, Al is bonded to three equivalent Ce and four Pt atoms to form a mixture of distorted face, edge, and corner-sharing AlCe3Pt4 tetrahedra. In the fourth Al site, Al is bonded to three equivalent Ce and four Pt atoms to form a mixture of distorted face, edge, and corner-sharing AlCe3Pt4 tetrahedra. In the fifth Al site, Al is bonded to three equivalent Ce and four Pt atoms to form a mixture of distorted face, edge, and corner-sharing AlCe3Pt4 tetrahedra.

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Materials Data on SrCe3 by Materials Project

SrCe3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sr is bonded to twelve Ce atoms to form SrCe12 cuboctahedra that share corners with six equivalent SrCe12 cuboctahedra, corners with twelve equivalent CeSr4Ce8 cuboctahedra, edges with eighteen CeSr4Ce8 cuboctahedra, faces with eight equivalent SrCe12 cuboctahedra, and faces with twelve CeSr4Ce8 cuboctahedra. All Sr–Ce bond lengths are 3.69 Å. There are two inequivalent Ce sites. In the first Ce site, Ce is bonded to four equivalent Sr and eight Ce atoms to form distorted CeSr4Ce8 cuboctahedra that share corners with four equivalent SrCe12 cuboctahedra, corners with fourteen CeSr4Ce8 cuboctahedra, edges with six equivalent SrCe12 cuboctahedra, edges with twelve CeSr4Ce8 cuboctahedra, faces with four equivalent SrCe12 cuboctahedra, and faces with sixteen CeSr4Ce8 cuboctahedra. There are a spread of Ce–Ce bond distances ranging from 3.38–4.00 Å. In the second Ce site, Ce is bonded to four equivalent Sr and eight equivalent Ce atoms to form distorted CeSr4Ce8 cuboctahedra that share corners with four equivalent SrCe12 cuboctahedra, corners with fourteen CeSr4Ce8 cuboctahedra, edges with six equivalent SrCe12 cuboctahedra, edges with twelve equivalent CeSr4Ce8 cuboctahedra, faces with four equivalent SrCe12 cuboctahedra, and faces with sixteen CeSr4Ce8 cuboctahedra.

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Materials Data on Ce2Zn17 by Materials Project

Ce2Zn17 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 8-coordinate geometry to twenty Zn atoms. There are a spread of Ce–Zn bond distances ranging from 3.09–3.40 Å. In the second Ce site, Ce is bonded in a 12-coordinate geometry to eighteen Zn atoms. There are a spread of Ce–Zn bond distances ranging from 3.16–3.48 Å. There are four inequivalent Zn sites. In the first Zn site, Zn is bonded to two Ce and ten Zn atoms to form a mixture of distorted corner, edge, and face-sharing ZnCe2Zn10 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.60–2.96 Å. In the second Zn site, Zn is bonded to two equivalent Ce and ten Zn atoms to form ZnCe2Zn10 cuboctahedra that share corners with twenty-two ZnCe2Zn10 cuboctahedra, edges with ten ZnCe3Zn9 cuboctahedra, and faces with eighteen ZnCe2Zn10 cuboctahedra. There are four shorter (2.64 Å) and two longer (2.74 Å) Zn–Zn bond lengths. In the third Zn site, Zn is bonded in a 2-coordinate geometry to one Ce and thirteen Zn atoms. There are one shorter (2.63 Å) and three longer (2.88 Å) Zn–Zn bond lengths. In the fourth Zn site, Zn is bonded to three Ce and nine Zn atoms to form a mixture of distorted corner, edge, and face-sharing ZnCe3Zn9 cuboctahedra. Both Zn–Zn bond lengths are 2.55 Å.

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Materials Data on NaCe(SeO5)2 by Materials Project

NaCe(SeO5)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Na is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Na–O bond distances ranging from 2.40–2.87 Å. Ce is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Ce–O bond distances ranging from 2.29–2.78 Å. There are two inequivalent Se sites. In the first Se site, Se is bonded in a tetrahedral geometry to four O atoms. There are a spread of Se–O bond distances ranging from 1.63–1.70 Å. In the second Se site, Se is bonded in a tetrahedral geometry to four O atoms. There are a spread of Se–O bond distances ranging from 1.67–1.69 Å. There are ten inequivalent O sites. In the first O site, O is bonded in a distorted trigonal planar geometry to one Na, one Ce, and one Se atom. In the second O site, O is bonded in a 1-coordinate geometry to one Na, one Ce, and one Se atom. In the third O site, O is bonded in a 3-coordinate geometry to one Na, one Ce, and one Se atom. In the fourth O site, O is bonded in a bent 150 degrees geometry to one Ce and one Se atom. In the fifth O site, O is bonded in a single-bond geometry to one Se atom. In the sixth O site, O is bonded in a bent 120 degrees geometry to one Ce and one O atom. The O–O bond length is 1.29 Å. In the seventh O site, O is bonded in a 3-coordinate geometry to one Na, one Ce, and one Se atom. In the eighth O site, O is bonded in a distorted trigonal non-coplanar geometry to one Na, one Ce, and one Se atom. In the ninth O site, O is bonded in a 4-coordinate geometry to two equivalent Na, one Ce, and one Se atom. In the tenth O site, O is bonded in a trigonal planar geometry to one Na, one Ce, and one O atom.

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Materials Data on Li2Ce2Si3 by Materials Project

Ce2Li2Si3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Li is bonded to three equivalent Ce and four Si atoms to form a mixture of distorted corner, edge, and face-sharing LiCe3Si4 tetrahedra. There are two shorter (3.10 Å) and one longer (3.11 Å) Li–Ce bond lengths. There are a spread of Li–Si bond distances ranging from 2.55–2.67 Å. There are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 9-coordinate geometry to nine Si atoms. There are five shorter (3.10 Å) and four longer (3.21 Å) Ce–Si bond lengths. In the second Ce site, Ce is bonded in a 12-coordinate geometry to six equivalent Li and six Si atoms. There are four shorter (3.07 Å) and two longer (3.17 Å) Ce–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 1-coordinate geometry to one Li, six Ce, and two equivalent Si atoms. Both Si–Si bond lengths are 2.38 Å. In the second Si site, Si is bonded in a 6-coordinate geometry to six equivalent Li and three Ce atoms.

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Materials Data on Ce3Rh2 by Materials Project

Ce3Rh2 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are three inequivalent Ce sites. In the first Ce site, Ce is bonded in an octahedral geometry to six equivalent Rh atoms. All Ce–Rh bond lengths are 3.00 Å. In the second Ce site, Ce is bonded in a 6-coordinate geometry to six equivalent Rh atoms. There are three shorter (2.88 Å) and three longer (3.11 Å) Ce–Rh bond lengths. In the third Ce site, Ce is bonded in a 5-coordinate geometry to five equivalent Rh atoms. There are a spread of Ce–Rh bond distances ranging from 2.82–3.25 Å. Rh is bonded in a 8-coordinate geometry to eight Ce atoms.

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Materials Data on Ce3Ge by Materials Project

Ce3Ge crystallizes in the tetragonal P4_2/n space group. The structure is three-dimensional. there are three inequivalent Ce sites. In the first Ce site, Ce is bonded in a 3-coordinate geometry to three equivalent Ge atoms. There are a spread of Ce–Ge bond distances ranging from 3.04–3.14 Å. In the second Ce site, Ce is bonded in a distorted bent 150 degrees geometry to two equivalent Ge atoms. There are one shorter (3.06 Å) and one longer (3.09 Å) Ce–Ge bond lengths. In the third Ce site, Ce is bonded in a distorted see-saw-like geometry to four equivalent Ge atoms. There are a spread of Ce–Ge bond distances ranging from 3.03–3.12 Å. Ge is bonded in a 9-coordinate geometry to nine Ce atoms.

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