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DOE OSTI2020

Materials Data on CeMg12 by Materials Project

Mg12Ce crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded to ten Mg and two equivalent Ce atoms to form a mixture of distorted corner, edge, and face-sharing MgCe2Mg10 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 2.90–3.14 Å. Both Mg–Ce bond lengths are 3.91 Å. In the second Mg site, Mg is bonded in a distorted q6 geometry to ten Mg and two equivalent Ce atoms. There are a spread of Mg–Mg bond distances ranging from 3.11–3.30 Å. Both Mg–Ce bond lengths are 3.64 Å. In the third Mg site, Mg is bonded in a 10-coordinate geometry to nine Mg and one Ce atom. The Mg–Mg bond length is 3.00 Å. The Mg–Ce bond length is 3.64 Å. Ce is bonded in a 12-coordinate geometry to twenty Mg atoms.

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Materials Data on Ce2FeSi3 by Materials Project

Ce2FeSi3 is hexagonal omega structure-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Ce is bonded to three equivalent Fe and nine Si atoms to form a mixture of edge and face-sharing CeFe3Si9 cuboctahedra. All Ce–Fe bond lengths are 3.03 Å. There are three shorter (3.03 Å) and six longer (3.15 Å) Ce–Si bond lengths. Fe is bonded in a 9-coordinate geometry to six equivalent Ce and three equivalent Si atoms. All Fe–Si bond lengths are 2.33 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to six equivalent Ce and three equivalent Si atoms. All Si–Si bond lengths are 2.33 Å. In the second Si site, Si is bonded in a 9-coordinate geometry to six equivalent Ce and three equivalent Fe atoms. In the third Si site, Si is bonded in a 9-coordinate geometry to six equivalent Ce and three equivalent Si atoms.

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Materials Data on CeSiBRh3 by Materials Project

CeRh3BSi crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Ce is bonded in a 12-coordinate geometry to twelve equivalent Rh, three equivalent B, and three equivalent Si atoms. All Ce–Rh bond lengths are 3.26 Å. All Ce–B bond lengths are 3.19 Å. All Ce–Si bond lengths are 3.19 Å. Rh is bonded in a distorted rectangular see-saw-like geometry to four equivalent Ce, two equivalent B, and two equivalent Si atoms. Both Rh–B bond lengths are 2.31 Å. Both Rh–Si bond lengths are 2.39 Å. B is bonded in a 9-coordinate geometry to three equivalent Ce and six equivalent Rh atoms. Si is bonded in a 6-coordinate geometry to three equivalent Ce and six equivalent Rh atoms.

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Materials Data on CeMg6B by Materials Project

Mg6CeB crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a distorted single-bond geometry to two equivalent Mg and one B atom. Both Mg–Mg bond lengths are 3.02 Å. The Mg–B bond length is 2.60 Å. In the second Mg site, Mg is bonded in a distorted bent 120 degrees geometry to two Mg, two equivalent Ce, and two equivalent B atoms. There are one shorter (3.07 Å) and one longer (3.25 Å) Mg–Mg bond lengths. Both Mg–Ce bond lengths are 3.16 Å. Both Mg–B bond lengths are 2.77 Å. In the third Mg site, Mg is bonded in a 10-coordinate geometry to eight Mg and two equivalent Ce atoms. Both Mg–Mg bond lengths are 2.96 Å. Both Mg–Ce bond lengths are 3.17 Å. In the fourth Mg site, Mg is bonded in a 2-coordinate geometry to four Mg atoms. Ce is bonded in a 2-coordinate geometry to six Mg and two equivalent B atoms. Both Ce–B bond lengths are 3.02 Å. B is bonded in a 8-coordinate geometry to six Mg and two equivalent Ce atoms.

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Materials Data on CeCr2O10 by Materials Project

CeCr2O10 crystallizes in the monoclinic P2_1/m space group. The structure is two-dimensional and consists of one CeCr2O10 sheet oriented in the (0, 0, 1) direction. Ce is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Ce–O bond distances ranging from 2.27–2.40 Å. Cr is bonded in a tetrahedral geometry to four O atoms. There are a spread of Cr–O bond distances ranging from 1.59–1.70 Å. There are six inequivalent O sites. In the first O site, O is bonded in a distorted linear geometry to one Ce and one Cr atom. In the second O site, O is bonded in a bent 150 degrees geometry to one Ce and one Cr atom. In the third O site, O is bonded in a single-bond geometry to one Cr atom. In the fourth O site, O is bonded in a distorted linear geometry to one Ce and one Cr atom. In the fifth O site, O is bonded in a single-bond geometry to one Ce atom. In the sixth O site, O is bonded in a single-bond geometry to one Ce atom.

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Materials Data on Ce2ZnBi4 by Materials Project

Ce2ZnBi4 crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. Ce is bonded in a 10-coordinate geometry to two equivalent Zn and eight Bi atoms. Both Ce–Zn bond lengths are 3.29 Å. There are four shorter (3.35 Å) and four longer (3.46 Å) Ce–Bi bond lengths. Zn is bonded in a distorted body-centered cubic geometry to four equivalent Ce and four equivalent Bi atoms. All Zn–Bi bond lengths are 2.83 Å. There are three inequivalent Bi sites. In the first Bi site, Bi is bonded in a 6-coordinate geometry to four equivalent Ce and two equivalent Zn atoms. In the second Bi site, Bi is bonded in a 8-coordinate geometry to four equivalent Ce and four equivalent Bi atoms. All Bi–Bi bond lengths are 3.27 Å. In the third Bi site, Bi is bonded in a 8-coordinate geometry to four equivalent Ce and four equivalent Bi atoms.

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Materials Data on CeSe2 by Materials Project

CeSe2 is Low Tridymite-like structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are seven inequivalent Ce4+ sites. In the first Ce4+ site, Ce4+ is bonded to four Se2- atoms to form corner-sharing CeSe4 tetrahedra. There are a spread of Ce–Se bond distances ranging from 2.70–2.73 Å. In the second Ce4+ site, Ce4+ is bonded to four Se2- atoms to form corner-sharing CeSe4 tetrahedra. There are three shorter (2.72 Å) and one longer (2.73 Å) Ce–Se bond lengths. In the third Ce4+ site, Ce4+ is bonded to four Se2- atoms to form corner-sharing CeSe4 tetrahedra. There are a spread of Ce–Se bond distances ranging from 2.71–2.73 Å. In the fourth Ce4+ site, Ce4+ is bonded to four Se2- atoms to form corner-sharing CeSe4 tetrahedra. There are a spread of Ce–Se bond distances ranging from 2.71–2.73 Å. In the fifth Ce4+ site, Ce4+ is bonded to four Se2- atoms to form corner-sharing CeSe4 tetrahedra. There are two shorter (2.71 Å) and two longer (2.72 Å) Ce–Se bond lengths. In the sixth Ce4+ site, Ce4+ is bonded to four Se2- atoms to form corner-sharing CeSe4 tetrahedra. There are three shorter (2.71 Å) and one longer (2.72 Å) Ce–Se bond lengths. In the seventh Ce4+ site, Ce4+ is bonded to four Se2- atoms to form corner-sharing CeSe4 tetrahedra. There are three shorter (2.71 Å) and one longer (2.72 Å) Ce–Se bond lengths. There are eleven inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a bent 150 degrees geometry to two Ce4+ atoms. In the second Se2- site, Se2- is bonded in a bent 150 degrees geometry to two Ce4+ atoms. In the third Se2- site, Se2- is bonded in a bent 150 degrees geometry to two Ce4+ atoms. In the fourth Se2- site, Se2- is bonded in a bent 120 degrees geometry to two Ce4+ atoms. In the fifth Se2- site, Se2- is bonded in a linear geometry to two equivalent Ce4+ atoms. In the sixth Se2- site, Se2- is bonded in a bent 150 degrees geometry to two Ce4+ atoms. In the seventh Se2- site, Se2- is bonded in a bent 150 degrees geometry to two Ce4+ atoms. In the eighth Se2- site, Se2- is bonded in a bent 150 degrees geometry to two Ce4+ atoms. In the ninth Se2- site, Se2- is bonded in a linear geometry to two Ce4+ atoms. In the tenth Se2- site, Se2- is bonded in a bent 120 degrees geometry to two Ce4+ atoms. In the eleventh Se2- site, Se2- is bonded in a linear geometry to two Ce4+ atoms.

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Materials Data on CeAl(CuNi)2 by Materials Project

CeAl(NiCu)2 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Ce is bonded in a 6-coordinate geometry to six equivalent Ni, eight equivalent Cu, and four equivalent Al atoms. There are two shorter (2.85 Å) and four longer (2.90 Å) Ce–Ni bond lengths. All Ce–Cu bond lengths are 3.21 Å. All Ce–Al bond lengths are 3.27 Å. Ni is bonded in a 12-coordinate geometry to three equivalent Ce, four equivalent Cu, and two equivalent Al atoms. All Ni–Cu bond lengths are 2.52 Å. Both Ni–Al bond lengths are 2.48 Å. Cu is bonded to four equivalent Ce, four equivalent Ni, two equivalent Cu, and two equivalent Al atoms to form a mixture of distorted edge, corner, and face-sharing CuCe4Al2Cu2Ni4 cuboctahedra. Both Cu–Cu bond lengths are 2.55 Å. Both Cu–Al bond lengths are 2.47 Å. Al is bonded in a 12-coordinate geometry to four equivalent Ce, four equivalent Ni, and four equivalent Cu atoms.

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Materials Data on Ce2Ga2Fe15 by Materials Project

Ce2Fe15Ga2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ce is bonded in a 10-coordinate geometry to eighteen Fe and one Ga atom. There are a spread of Ce–Fe bond distances ranging from 2.99–3.35 Å. The Ce–Ga bond length is 3.11 Å. There are three inequivalent Fe sites. In the first Fe site, Fe is bonded to two equivalent Ce, eight Fe, and two equivalent Ga atoms to form distorted FeCe2Ga2Fe8 cuboctahedra that share corners with fourteen FeCe2Ga2Fe8 cuboctahedra, edges with six equivalent FeCe3GaFe8 cuboctahedra, and faces with ten FeCe2Ga2Fe8 cuboctahedra. There are four shorter (2.45 Å) and four longer (2.48 Å) Fe–Fe bond lengths. Both Fe–Ga bond lengths are 2.57 Å. In the second Fe site, Fe is bonded in a 12-coordinate geometry to two equivalent Ce, eight Fe, and two equivalent Ga atoms. There are a spread of Fe–Fe bond distances ranging from 2.53–2.63 Å. Both Fe–Ga bond lengths are 2.84 Å. In the third Fe site, Fe is bonded to three equivalent Ce, eight Fe, and one Ga atom to form a mixture of corner, edge, and face-sharing FeCe3GaFe8 cuboctahedra. Both Fe–Fe bond lengths are 2.45 Å. The Fe–Ga bond length is 2.61 Å. Ga is bonded in a 8-coordinate geometry to one Ce, twelve Fe, and one Ga atom. The Ga–Ga bond length is 2.61 Å.

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Materials Data on Ce2CuSi3 by Materials Project

Ce2CuSi3 is hexagonal omega structure-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Ce is bonded to three equivalent Cu and nine Si atoms to form a mixture of edge and face-sharing CeCu3Si9 cuboctahedra. All Ce–Cu bond lengths are 3.13 Å. There are six shorter (3.10 Å) and three longer (3.13 Å) Ce–Si bond lengths. Cu is bonded in a 9-coordinate geometry to six equivalent Ce and three equivalent Si atoms. All Cu–Si bond lengths are 2.37 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to six equivalent Ce and three equivalent Si atoms. All Si–Si bond lengths are 2.37 Å. In the second Si site, Si is bonded in a 9-coordinate geometry to six equivalent Ce and three equivalent Cu atoms. In the third Si site, Si is bonded in a 9-coordinate geometry to six equivalent Ce and three equivalent Si atoms.

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Materials Data on Cs2CeN5O17 by Materials Project

Cs2CeN5O17 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Cs is bonded in a 12-coordinate geometry to twelve O atoms. There are a spread of Cs–O bond distances ranging from 3.15–3.72 Å. Ce is bonded in a 10-coordinate geometry to ten O atoms. There are a spread of Ce–O bond distances ranging from 2.26–2.68 Å. There are three inequivalent N sites. In the first N site, N is bonded in a trigonal planar geometry to three O atoms. There is two shorter (1.25 Å) and one longer (1.31 Å) N–O bond length. In the second N site, N is bonded in a trigonal planar geometry to three O atoms. There are a spread of N–O bond distances ranging from 1.23–1.29 Å. In the third N site, N is bonded in a trigonal planar geometry to three O atoms. There is one shorter (1.23 Å) and two longer (1.29 Å) N–O bond length. There are nine inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to two equivalent Cs and one N atom. In the second O site, O is bonded in a 1-coordinate geometry to one Cs, one Ce, and one N atom. In the third O site, O is bonded in a single-bond geometry to two equivalent Cs and one N atom. In the fourth O site, O is bonded in a distorted single-bond geometry to one Cs, one Ce, and one N atom. In the fifth O site, O is bonded in a distorted single-bond geometry to two equivalent Cs, one Ce, and one N atom. In the sixth O site, O is bonded in a single-bond geometry to two equivalent Cs and one N atom. In the seventh O site, O is bonded in a distorted single-bond geometry to one Cs, one Ce, and one N atom. In the eighth O site, O is bonded in a single-bond geometry to two equivalent Cs and one N atom. In the ninth O site, O is bonded in a single-bond geometry to one Ce atom.

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Materials Data on CeSe2 by Materials Project

CeSe2 is trigonal omega-like structured and crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one CeSe2 sheet oriented in the (1, 1, -1) direction. there are seven inequivalent Ce4+ sites. In the first Ce4+ site, Ce4+ is bonded to six Se2- atoms to form edge-sharing CeSe6 octahedra. All Ce–Se bond lengths are 2.87 Å. In the second Ce4+ site, Ce4+ is bonded to six Se2- atoms to form edge-sharing CeSe6 octahedra. There are a spread of Ce–Se bond distances ranging from 2.87–2.89 Å. In the third Ce4+ site, Ce4+ is bonded to six Se2- atoms to form edge-sharing CeSe6 octahedra. There are a spread of Ce–Se bond distances ranging from 2.87–2.89 Å. In the fourth Ce4+ site, Ce4+ is bonded to six Se2- atoms to form edge-sharing CeSe6 octahedra. There are a spread of Ce–Se bond distances ranging from 2.87–2.89 Å. In the fifth Ce4+ site, Ce4+ is bonded to six Se2- atoms to form edge-sharing CeSe6 octahedra. There are five shorter (2.88 Å) and one longer (2.91 Å) Ce–Se bond lengths. In the sixth Ce4+ site, Ce4+ is bonded to six Se2- atoms to form edge-sharing CeSe6 octahedra. There are a spread of Ce–Se bond distances ranging from 2.87–2.91 Å. In the seventh Ce4+ site, Ce4+ is bonded to six Se2- atoms to form edge-sharing CeSe6 octahedra. There are a spread of Ce–Se bond distances ranging from 2.87–2.90 Å. There are thirteen inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 3-coordinate geometry to three Ce4+ atoms. In the second Se2- site, Se2- is bonded in a 3-coordinate geometry to three Ce4+ atoms. In the third Se2- site, Se2- is bonded in a 3-coordinate geometry to three Ce4+ atoms. In the fourth Se2- site, Se2- is bonded in a 3-coordinate geometry to three Ce4+ atoms. In the fifth Se2- site, Se2- is bonded in a 3-coordinate geometry to three Ce4+ atoms. In the sixth Se2- site, Se2- is bonded in a 3-coordinate geometry to three Ce4+ atoms. In the seventh Se2- site, Se2- is bonded in a 3-coordinate geometry to three Ce4+ atoms. In the eighth Se2- site, Se2- is bonded in a 3-coordinate geometry to three Ce4+ atoms. In the ninth Se2- site, Se2- is bonded in a 3-coordinate geometry to three Ce4+ atoms. In the tenth Se2- site, Se2- is bonded in a 3-coordinate geometry to three Ce4+ atoms. In the eleventh Se2- site, Se2- is bonded in a 3-coordinate geometry to three Ce4+ atoms. In the twelfth Se2- site, Se2- is bonded in a 3-coordinate geometry to three Ce4+ atoms. In the thirteenth Se2- site, Se2- is bonded in a 3-coordinate geometry to three Ce4+ atoms.

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Materials Data on CeYFe17 by Materials Project

CeYFe17 crystallizes in the trigonal R3m space group. The structure is three-dimensional. Ce is bonded in a 10-coordinate geometry to nineteen Fe atoms. There are a spread of Ce–Fe bond distances ranging from 3.01–3.31 Å. Y is bonded in a 10-coordinate geometry to nineteen Fe atoms. There are a spread of Y–Fe bond distances ranging from 3.02–3.26 Å. There are six inequivalent Fe sites. In the first Fe site, Fe is bonded to one Ce, two equivalent Y, and nine Fe atoms to form FeCeY2Fe9 cuboctahedra that share corners with fifteen FeCeY2Fe9 cuboctahedra, edges with eight FeCe2YFe9 cuboctahedra, and faces with ten FeCeY2Fe9 cuboctahedra. There are a spread of Fe–Fe bond distances ranging from 2.45–2.65 Å. In the second Fe site, Fe is bonded to two equivalent Ce, one Y, and nine Fe atoms to form FeCe2YFe9 cuboctahedra that share corners with fifteen FeCeY2Fe9 cuboctahedra, edges with eight FeCe2YFe9 cuboctahedra, and faces with ten FeCeY2Fe9 cuboctahedra. There are a spread of Fe–Fe bond distances ranging from 2.45–2.64 Å. In the third Fe site, Fe is bonded in a 12-coordinate geometry to one Ce, one Y, and ten Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.44–2.77 Å. In the fourth Fe site, Fe is bonded to one Ce, one Y, and ten Fe atoms to form FeCeYFe10 cuboctahedra that share corners with fourteen FeCe2YFe9 cuboctahedra, edges with six FeCe2YFe9 cuboctahedra, and faces with ten FeCeY2Fe9 cuboctahedra. Both Fe–Fe bond lengths are 2.60 Å. In the fifth Fe site, Fe is bonded in a 2-coordinate geometry to one Ce and thirteen Fe atoms. The Fe–Fe bond length is 2.42 Å. In the sixth Fe site, Fe is bonded in a 2-coordinate geometry to one Y and thirteen Fe atoms.

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Materials Data on CeInCuAg by Materials Project

CeAgCuIn is Tungsten-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ce is bonded in a body-centered cubic geometry to four equivalent Ag, four equivalent Cu, and six equivalent In atoms. All Ce–Ag bond lengths are 3.01 Å. All Ce–Cu bond lengths are 3.01 Å. All Ce–In bond lengths are 3.48 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 3.01 Å. Cu is bonded in a body-centered cubic geometry to four equivalent Ce and four equivalent In atoms. All Cu–In bond lengths are 3.01 Å. In is bonded in a distorted body-centered cubic geometry to six equivalent Ce, four equivalent Ag, and four equivalent Cu atoms.

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Materials Data on CeSiGePd2 by Materials Project

CePd2GeSi crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Ce is bonded in a 8-coordinate geometry to eight equivalent Pd, four equivalent Ge, and four equivalent Si atoms. There are four shorter (3.26 Å) and four longer (3.37 Å) Ce–Pd bond lengths. All Ce–Ge bond lengths are 3.22 Å. All Ce–Si bond lengths are 3.26 Å. Pd is bonded in a 4-coordinate geometry to four equivalent Ce, two equivalent Ge, and two equivalent Si atoms. Both Pd–Ge bond lengths are 2.57 Å. Both Pd–Si bond lengths are 2.45 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Ce, four equivalent Pd, and one Si atom. The Ge–Si bond length is 2.41 Å. Si is bonded in a 9-coordinate geometry to four equivalent Ce, four equivalent Pd, and one Ge atom.

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Materials Data on CeIn4Ni by Materials Project

CeNiIn4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ce is bonded in a 9-coordinate geometry to two equivalent Ni and thirteen In atoms. Both Ce–Ni bond lengths are 3.48 Å. There are a spread of Ce–In bond distances ranging from 3.22–3.67 Å. Ni is bonded in a 9-coordinate geometry to two equivalent Ce and seven In atoms. There are a spread of Ni–In bond distances ranging from 2.55–2.76 Å. There are three inequivalent In sites. In the first In site, In is bonded in a 10-coordinate geometry to four equivalent Ce and six In atoms. There are four shorter (3.14 Å) and two longer (3.19 Å) In–In bond lengths. In the second In site, In is bonded in a 2-coordinate geometry to three equivalent Ce, one Ni, and four equivalent In atoms. In the third In site, In is bonded in a 12-coordinate geometry to three equivalent Ce, three equivalent Ni, and one In atom.

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Materials Data on Rb3Ce(Cl3O)2 by Materials Project

Rb3Ce(OCl3)2 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. there are three inequivalent Rb sites. In the first Rb site, Rb is bonded to six Cl atoms to form distorted RbCl6 pentagonal pyramids that share corners with three equivalent RbCl7 pentagonal bipyramids, edges with six equivalent RbCl7 pentagonal bipyramids, and a faceface with one RbCl6 pentagonal pyramid. There are three shorter (3.32 Å) and three longer (3.35 Å) Rb–Cl bond lengths. In the second Rb site, Rb is bonded to seven Cl atoms to form distorted RbCl7 pentagonal bipyramids that share corners with four equivalent RbCl7 pentagonal bipyramids, a cornercorner with one RbCl6 pentagonal pyramid, edges with three equivalent RbCl7 pentagonal bipyramids, edges with two equivalent RbCl6 pentagonal pyramids, and a faceface with one RbCl7 pentagonal bipyramid. There are a spread of Rb–Cl bond distances ranging from 3.24–3.54 Å. In the third Rb site, Rb is bonded in a hexagonal planar geometry to six equivalent Cl atoms. All Rb–Cl bond lengths are 3.34 Å. Ce is bonded in a distorted bent 120 degrees geometry to two equivalent O and six Cl atoms. Both Ce–O bond lengths are 2.06 Å. There are a spread of Ce–Cl bond distances ranging from 2.78–2.95 Å. O is bonded in a single-bond geometry to one Ce atom. There are four inequivalent Cl sites. In the first Cl site, Cl is bonded in a rectangular see-saw-like geometry to four Rb atoms. In the second Cl site, Cl is bonded to four Rb and one Ce atom to form distorted ClRb4Ce trigonal bipyramids that share corners with two equivalent ClRb2Ce2 tetrahedra, edges with two equivalent ClRb2Ce2 tetrahedra, and edges with two equivalent ClRb4Ce trigonal bipyramids. In the third Cl site, Cl is bonded in a 5-coordinate geometry to four equivalent Rb and one Ce atom. In the fourth Cl site, Cl is bonded to two Rb and two equivalent Ce atoms to form ClRb2Ce2 tetrahedra that share corners with five equivalent ClRb2Ce2 tetrahedra, a cornercorner with one ClRb4Ce trigonal bipyramid, edges with three equivalent ClRb2Ce2 tetrahedra, and an edgeedge with one ClRb4Ce trigonal bipyramid.

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Materials Data on Ce2CuGe3 by Materials Project

Ce2CuGe3 is hexagonal omega structure-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Ce is bonded to three equivalent Cu and nine Ge atoms to form a mixture of edge and face-sharing CeCu3Ge9 cuboctahedra. All Ce–Cu bond lengths are 3.16 Å. There are three shorter (3.16 Å) and six longer (3.18 Å) Ce–Ge bond lengths. Cu is bonded in a 9-coordinate geometry to six equivalent Ce and three equivalent Ge atoms. All Cu–Ge bond lengths are 2.47 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six equivalent Ce and three equivalent Ge atoms. All Ge–Ge bond lengths are 2.47 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six equivalent Ce and three equivalent Cu atoms. In the third Ge site, Ge is bonded in a 9-coordinate geometry to six equivalent Ce and three equivalent Ge atoms.

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