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Materials Data on CeYCo17 by Materials Project

CeYCo17 crystallizes in the trigonal R3m space group. The structure is three-dimensional. Ce is bonded in a 3-coordinate geometry to nineteen Co atoms. There are a spread of Ce–Co bond distances ranging from 2.94–3.28 Å. Y is bonded in a 10-coordinate geometry to nineteen Co atoms. There are a spread of Y–Co bond distances ranging from 2.98–3.19 Å. There are six inequivalent Co sites. In the first Co site, Co is bonded in a 12-coordinate geometry to one Ce, one Y, and ten Co atoms. There are a spread of Co–Co bond distances ranging from 2.36–2.67 Å. In the second Co site, Co is bonded to one Ce, two equivalent Y, and nine Co atoms to form CoCeY2Co9 cuboctahedra that share corners with fifteen CoCeY2Co9 cuboctahedra, edges with eight CoCeYCo10 cuboctahedra, and faces with ten CoCeY2Co9 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.39–2.60 Å. In the third Co site, Co is bonded to two equivalent Ce, one Y, and nine Co atoms to form CoCe2YCo9 cuboctahedra that share corners with fifteen CoCeY2Co9 cuboctahedra, edges with eight CoCeYCo10 cuboctahedra, and faces with ten CoCeY2Co9 cuboctahedra. There are two shorter (2.40 Å) and one longer (2.57 Å) Co–Co bond lengths. In the fourth Co site, Co is bonded to one Ce, one Y, and ten Co atoms to form distorted CoCeYCo10 cuboctahedra that share corners with fourteen CoCeYCo10 cuboctahedra, edges with six CoCeY2Co9 cuboctahedra, and faces with ten CoCeY2Co9 cuboctahedra. There are one shorter (2.53 Å) and one longer (2.55 Å) Co–Co bond lengths. In the fifth Co site, Co is bonded in a 2-coordinate geometry to one Ce and thirteen Co atoms. The Co–Co bond length is 2.37 Å. In the sixth Co site, Co is bonded in a 2-coordinate geometry to one Y and thirteen Co atoms.

36 MATERIALS SCIENCE↗
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Materials Data on CeMg14Bi by Materials Project

Mg14CeBi crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are five inequivalent Mg sites. In the first Mg site, Mg is bonded to ten Mg and two equivalent Ce atoms to form MgCe2Mg10 cuboctahedra that share corners with four equivalent BiMg12 cuboctahedra, corners with fourteen MgCe2Mg10 cuboctahedra, edges with two equivalent CeMg12 cuboctahedra, edges with sixteen MgCe2Mg10 cuboctahedra, faces with two equivalent CeMg12 cuboctahedra, and faces with eighteen MgCe2Mg10 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.19–3.36 Å. Both Mg–Ce bond lengths are 3.28 Å. In the second Mg site, Mg is bonded to ten Mg and two equivalent Bi atoms to form distorted MgMg10Bi2 cuboctahedra that share corners with four equivalent CeMg12 cuboctahedra, corners with fourteen MgCe2Mg10 cuboctahedra, edges with two equivalent BiMg12 cuboctahedra, edges with sixteen MgMg10Bi2 cuboctahedra, faces with two equivalent BiMg12 cuboctahedra, and faces with eighteen MgCe2Mg10 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.24–3.35 Å. Both Mg–Bi bond lengths are 3.28 Å. In the third Mg site, Mg is bonded to ten Mg, one Ce, and one Bi atom to form distorted MgCeMg10Bi cuboctahedra that share corners with eighteen MgCeMg10Bi cuboctahedra, edges with two equivalent CeMg12 cuboctahedra, edges with two equivalent BiMg12 cuboctahedra, edges with fourteen MgCe2Mg10 cuboctahedra, a faceface with one CeMg12 cuboctahedra, a faceface with one BiMg12 cuboctahedra, and faces with eighteen MgCe2Mg10 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.26–3.29 Å. The Mg–Ce bond length is 3.30 Å. The Mg–Bi bond length is 3.30 Å. In the fourth Mg site, Mg is bonded to ten Mg, one Ce, and one Bi atom to form distorted MgCeMg10Bi cuboctahedra that share corners with eighteen MgCeMg10Bi cuboctahedra, edges with two equivalent CeMg12 cuboctahedra, edges with two equivalent BiMg12 cuboctahedra, edges with fourteen MgCe2Mg10 cuboctahedra, a faceface with one CeMg12 cuboctahedra, a faceface with one BiMg12 cuboctahedra, and faces with eighteen MgCe2Mg10 cuboctahedra. There are four shorter (3.28 Å) and two longer (3.30 Å) Mg–Mg bond lengths. The Mg–Ce bond length is 3.30 Å. The Mg–Bi bond length is 3.30 Å. In the fifth Mg site, Mg is bonded to twelve Mg atoms to form MgMg12 cuboctahedra that share corners with eighteen MgCeMg10Bi cuboctahedra, edges with eighteen MgCe2Mg10 cuboctahedra, faces with three equivalent CeMg12 cuboctahedra, faces with three equivalent BiMg12 cuboctahedra, and faces with fourteen MgCe2Mg10 cuboctahedra. Ce is bonded to twelve Mg atoms to form CeMg12 cuboctahedra that share corners with six equivalent CeMg12 cuboctahedra, corners with twelve equivalent MgMg10Bi2 cuboctahedra, edges with eighteen MgCe2Mg10 cuboctahedra, faces with two equivalent BiMg12 cuboctahedra, and faces with eighteen MgCe2Mg10 cuboctahedra. Bi is bonded to twelve Mg atoms to form BiMg12 cuboctahedra that share corners with six equivalent BiMg12 cuboctahedra, corners with twelve equivalent MgCe2Mg10 cuboctahedra, edges with eighteen MgMg10Bi2 cuboctahedra, faces with two equivalent CeMg12 cuboctahedra, and faces with eighteen MgMg10Bi2 cuboctahedra.

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Materials Data on CeAl4Pd by Materials Project

CePdAl4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ce is bonded in a 1-coordinate geometry to two equivalent Pd and thirteen Al atoms. Both Ce–Pd bond lengths are 3.34 Å. There are a spread of Ce–Al bond distances ranging from 2.93–3.48 Å. Pd is bonded in a 7-coordinate geometry to two equivalent Ce and seven Al atoms. There are a spread of Pd–Al bond distances ranging from 2.42–2.60 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 2-coordinate geometry to three equivalent Ce, one Pd, and four equivalent Al atoms. All Al–Al bond lengths are 2.93 Å. In the second Al site, Al is bonded in a distorted q6 geometry to four equivalent Ce and six Al atoms. Both Al–Al bond lengths are 2.90 Å. In the third Al site, Al is bonded in a 3-coordinate geometry to three equivalent Ce, three equivalent Pd, and one Al atom.

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Materials Data on CeSiGeRh2 by Materials Project

CeRh2GeSi crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Ce is bonded in a 12-coordinate geometry to eight equivalent Rh, four equivalent Ge, and four equivalent Si atoms. There are four shorter (3.25 Å) and four longer (3.35 Å) Ce–Rh bond lengths. All Ce–Ge bond lengths are 3.17 Å. All Ce–Si bond lengths are 3.20 Å. Rh is bonded in a 4-coordinate geometry to four equivalent Ce, two equivalent Ge, and two equivalent Si atoms. Both Rh–Ge bond lengths are 2.50 Å. Both Rh–Si bond lengths are 2.40 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Ce, four equivalent Rh, and one Si atom. The Ge–Si bond length is 2.53 Å. Si is bonded in a 9-coordinate geometry to four equivalent Ce, four equivalent Rh, and one Ge atom.

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Materials Data on CeCoGe2Ru by Materials Project

CeRuCoGe2 crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. Ce is bonded in a 12-coordinate geometry to four equivalent Ru, four equivalent Co, and eight equivalent Ge atoms. All Ce–Ru bond lengths are 3.29 Å. All Ce–Co bond lengths are 3.29 Å. All Ce–Ge bond lengths are 3.22 Å. Ru is bonded to four equivalent Ce, four equivalent Co, and four equivalent Ge atoms to form distorted RuCe4Co4Ge4 cuboctahedra that share corners with four equivalent CoCe4Ge4Ru4 cuboctahedra, corners with twelve equivalent RuCe4Co4Ge4 cuboctahedra, edges with two equivalent CoCe4Ge4Ru4 cuboctahedra, faces with four equivalent RuCe4Co4Ge4 cuboctahedra, and faces with four equivalent CoCe4Ge4Ru4 cuboctahedra. All Ru–Co bond lengths are 2.93 Å. All Ru–Ge bond lengths are 2.41 Å. Co is bonded to four equivalent Ce, four equivalent Ru, and four equivalent Ge atoms to form distorted CoCe4Ge4Ru4 cuboctahedra that share corners with four equivalent RuCe4Co4Ge4 cuboctahedra, corners with twelve equivalent CoCe4Ge4Ru4 cuboctahedra, edges with two equivalent RuCe4Co4Ge4 cuboctahedra, faces with four equivalent RuCe4Co4Ge4 cuboctahedra, and faces with four equivalent CoCe4Ge4Ru4 cuboctahedra. All Co–Ge bond lengths are 2.41 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Ce, two equivalent Ru, two equivalent Co, and one Ge atom. The Ge–Ge bond length is 2.65 Å.

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Materials Data on CeMg6C by Materials Project

Mg6CeC 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 single-bond geometry to four Mg and one C atom. There are two shorter (2.97 Å) and two longer (3.09 Å) Mg–Mg bond lengths. The Mg–C bond length is 2.42 Å. In the second Mg site, Mg is bonded in a 2-coordinate geometry to six Mg, two equivalent Ce, and two equivalent C atoms. There are a spread of Mg–Mg bond distances ranging from 2.73–3.23 Å. Both Mg–Ce bond lengths are 3.20 Å. Both Mg–C bond lengths are 2.83 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 2.89 Å. Both Mg–Ce bond lengths are 3.23 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 C atoms. Both Ce–C bond lengths are 3.01 Å. C is bonded in a 8-coordinate geometry to six Mg and two equivalent Ce atoms.

36 MATERIALS SCIENCE↗
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Materials Data on SrCeMg6 by Materials Project

SrMg6Ce crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Sr is bonded in a 12-coordinate geometry to ten Mg atoms. There are a spread of Sr–Mg bond distances ranging from 3.21–3.44 Å. There are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a 10-coordinate geometry to two equivalent Sr, six Mg, and two equivalent Ce atoms. There are a spread of Mg–Mg bond distances ranging from 3.20–3.30 Å. There are one shorter (3.19 Å) and one longer (3.35 Å) Mg–Ce bond lengths. In the second Mg site, Mg is bonded in a 10-coordinate geometry to two equivalent Sr, six Mg, and two equivalent Ce atoms. There are a spread of Mg–Mg bond distances ranging from 3.02–3.51 Å. Both Mg–Ce bond lengths are 3.22 Å. In the third Mg site, Mg is bonded in a distorted q6 geometry to eight Mg and two equivalent Ce atoms. Both Mg–Ce bond lengths are 3.41 Å. In the fourth Mg site, Mg is bonded in a 12-coordinate geometry to two equivalent Sr and eight Mg atoms. Ce is bonded in a 10-coordinate geometry to ten Mg atoms.

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Materials Data on Ce2Fe12Co5 by Materials Project

Ce2Fe12Co5 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ce is bonded in a 10-coordinate geometry to fifteen Fe and four Co atoms. There are a spread of Ce–Fe bond distances ranging from 3.01–3.21 Å. There are one shorter (3.17 Å) and three longer (3.30 Å) Ce–Co bond lengths. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded to two equivalent Ce, six Fe, and four Co atoms to form distorted FeCe2Fe6Co4 cuboctahedra that share corners with four equivalent CoCe2Fe8Co2 cuboctahedra, corners with twenty FeCe3Fe6Co3 cuboctahedra, edges with two equivalent CoCe2Fe8Co2 cuboctahedra, edges with three FeCe3Fe6Co3 cuboctahedra, faces with four equivalent CoCe2Fe8Co2 cuboctahedra, and faces with seventeen FeCe2Fe6Co4 cuboctahedra. There are a spread of Fe–Fe bond distances ranging from 2.44–2.65 Å. There are two shorter (2.44 Å) and two longer (2.70 Å) Fe–Co bond lengths. In the second Fe site, Fe is bonded to three equivalent Ce, six Fe, and three Co atoms to form FeCe3Fe6Co3 cuboctahedra that share corners with five equivalent CoCe2Fe8Co2 cuboctahedra, corners with eighteen FeCe3Fe6Co3 cuboctahedra, edges with three equivalent CoCe2Fe8Co2 cuboctahedra, edges with seven FeCe3Fe6Co3 cuboctahedra, faces with three equivalent CoCe2Fe8Co2 cuboctahedra, and faces with seventeen FeCe2Fe6Co4 cuboctahedra. Both Fe–Fe bond lengths are 2.48 Å. There are two shorter (2.42 Å) and one longer (2.62 Å) Fe–Co bond lengths. There are two inequivalent Co sites. In the first Co site, Co is bonded to two equivalent Ce, eight Fe, and two equivalent Co atoms to form distorted CoCe2Fe8Co2 cuboctahedra that share corners with four equivalent CoCe2Fe8Co2 cuboctahedra, corners with eighteen FeCe3Fe6Co3 cuboctahedra, edges with ten FeCe3Fe6Co3 cuboctahedra, faces with four equivalent CoCe2Fe8Co2 cuboctahedra, and faces with fourteen FeCe2Fe6Co4 cuboctahedra. Both Co–Co bond lengths are 2.60 Å. In the second Co site, Co is bonded in a 1-coordinate geometry to one Ce, nine Fe, and four Co atoms. The Co–Co bond length is 2.33 Å.

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Materials Data on Ce2Al41Mo3 by Materials Project

Ce2Mo3Al41 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ce is bonded in a 4-coordinate geometry to sixteen Al atoms. There are a spread of Ce–Al bond distances ranging from 3.16–3.24 Å. Mo is bonded to twelve Al atoms to form MoAl12 cuboctahedra that share corners with two equivalent AlAl12 cuboctahedra, corners with four equivalent MoAl12 cuboctahedra, and edges with six equivalent AlCeAl11 cuboctahedra. There are a spread of Mo–Al bond distances ranging from 2.59–2.84 Å. There are eight inequivalent Al sites. In the first Al site, Al is bonded in a distorted single-bond geometry to one Mo and seven Al atoms. There are a spread of Al–Al bond distances ranging from 2.58–2.88 Å. In the second Al site, Al is bonded in a distorted linear geometry to two equivalent Mo and six Al atoms. There are two shorter (2.75 Å) and four longer (2.87 Å) Al–Al bond lengths. In the third Al site, Al is bonded in a linear geometry to two equivalent Ce and twelve equivalent Al atoms. All Al–Al bond lengths are 3.13 Å. In the fourth Al site, Al is bonded in a distorted linear geometry to two equivalent Ce and twelve Al atoms. There are a spread of Al–Al bond distances ranging from 3.11–3.13 Å. In the fifth Al site, Al is bonded to twelve Al atoms to form AlAl12 cuboctahedra that share corners with six equivalent MoAl12 cuboctahedra and faces with six equivalent AlCeAl11 cuboctahedra. All Al–Al bond lengths are 2.84 Å. In the sixth Al site, Al is bonded to one Ce and eleven Al atoms to form distorted AlCeAl11 cuboctahedra that share corners with three equivalent AlCeAl11 cuboctahedra, edges with two equivalent AlCeAl11 cuboctahedra, edges with three equivalent MoAl12 cuboctahedra, and faces with five AlAl12 cuboctahedra. There are a spread of Al–Al bond distances ranging from 2.72–2.96 Å. In the seventh Al site, Al is bonded in a 12-coordinate geometry to one Ce, one Mo, and ten Al atoms. There are a spread of Al–Al bond distances ranging from 2.73–2.96 Å. In the eighth Al site, Al is bonded in a 12-coordinate geometry to one Ce, one Mo, and ten Al atoms. Both Al–Al bond lengths are 2.78 Å.

36 MATERIALS SCIENCE↗
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Materials Data on CeMg6C by Materials Project

Mg6CeC 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 9-coordinate geometry to seven Mg and two equivalent Ce atoms. There are a spread of Mg–Mg bond distances ranging from 3.01–3.45 Å. There are one shorter (3.35 Å) and one longer (3.42 Å) Mg–Ce bond lengths. In the second Mg site, Mg is bonded in a 12-coordinate geometry to ten Mg and two equivalent Ce atoms. There are four shorter (2.99 Å) and two longer (3.13 Å) Mg–Mg bond lengths. Both Mg–Ce bond lengths are 3.93 Å. In the third Mg site, Mg is bonded in a single-bond geometry to four Mg and one C atom. The Mg–C bond length is 2.25 Å. In the fourth Mg site, Mg is bonded in a single-bond geometry to six Mg and one C atom. The Mg–C bond length is 2.19 Å. Ce is bonded in a bent 150 degrees geometry to six Mg and two equivalent C atoms. Both Ce–C bond lengths are 2.38 Å. C is bonded to three Mg and two equivalent Ce atoms to form corner-sharing CCe2Mg3 trigonal bipyramids.

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Materials Data on CeCo4Cu by Materials Project

CeCo4Cu crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Ce is bonded in a distorted hexagonal planar geometry to fifteen Co and three equivalent Cu atoms. There are a spread of Ce–Co bond distances ranging from 2.84–3.19 Å. There are two shorter (2.84 Å) and one longer (2.85 Å) Ce–Cu bond lengths. There are three inequivalent Co sites. In the first Co site, Co is bonded to three equivalent Ce, six Co, and three equivalent Cu atoms to form distorted CoCe3Co6Cu3 cuboctahedra that share corners with nine equivalent CuCe3Co9 cuboctahedra, corners with twelve CoCe4Co6Cu2 cuboctahedra, edges with six equivalent CoCe3Co6Cu3 cuboctahedra, faces with three equivalent CuCe3Co9 cuboctahedra, and faces with twenty CoCe3Co6Cu3 cuboctahedra. All Co–Co bond lengths are 2.47 Å. There are two shorter (2.84 Å) and one longer (2.85 Å) Co–Cu bond lengths. In the second Co site, Co is bonded to four equivalent Ce, six Co, and two equivalent Cu atoms to form CoCe4Co6Cu2 cuboctahedra that share corners with four equivalent CuCe3Co9 cuboctahedra, corners with twenty CoCe3Co6Cu3 cuboctahedra, edges with ten CoCe4Co6Cu2 cuboctahedra, faces with six equivalent CuCe3Co9 cuboctahedra, and faces with sixteen CoCe3Co6Cu3 cuboctahedra. There are three shorter (2.46 Å) and one longer (2.47 Å) Co–Co bond lengths. Both Co–Cu bond lengths are 2.47 Å. In the third Co site, Co is bonded to four equivalent Ce, six Co, and two equivalent Cu atoms to form CoCe4Co6Cu2 cuboctahedra that share corners with four equivalent CuCe3Co9 cuboctahedra, corners with twenty CoCe4Co6Cu2 cuboctahedra, edges with ten CoCe4Co6Cu2 cuboctahedra, faces with six equivalent CuCe3Co9 cuboctahedra, and faces with sixteen CoCe3Co6Cu3 cuboctahedra. Both Co–Cu bond lengths are 2.48 Å. Cu is bonded to three equivalent Ce and nine Co atoms to form distorted CuCe3Co9 cuboctahedra that share corners with twenty-one CoCe3Co6Cu3 cuboctahedra, edges with six equivalent CuCe3Co9 cuboctahedra, faces with two equivalent CuCe3Co9 cuboctahedra, and faces with twenty-one CoCe3Co6Cu3 cuboctahedra.

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Materials Data on Ce2NiGe3 by Materials Project

Ce2NiGe3 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 Ni and nine Ge atoms to form a mixture of edge and face-sharing CeNi3Ge9 cuboctahedra. All Ce–Ni bond lengths are 3.08 Å. There are three shorter (3.08 Å) and six longer (3.22 Å) Ce–Ge bond lengths. Ni is bonded in a 9-coordinate geometry to six equivalent Ce and three equivalent Ge atoms. All Ni–Ge bond lengths are 2.45 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 2.45 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six equivalent Ce and three equivalent Ni atoms. In the third Ge site, Ge is bonded in a 9-coordinate geometry to six equivalent Ce and three equivalent Ge atoms.

36 MATERIALS SCIENCE↗
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Materials Data on Ce2PPt8 by Materials Project

Ce2Pt8P crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Ce+3.50+ is bonded in a 5-coordinate geometry to fifteen Pt+1.50- atoms. There are a spread of Ce–Pt bond distances ranging from 3.04–3.50 Å. There are five inequivalent Pt+1.50- sites. In the first Pt+1.50- site, Pt+1.50- is bonded in a distorted single-bond geometry to four equivalent Ce+3.50+, six Pt+1.50-, and one P5+ atom. There are a spread of Pt–Pt bond distances ranging from 2.68–2.88 Å. The Pt–P bond length is 2.29 Å. In the second Pt+1.50- site, Pt+1.50- is bonded to four equivalent Ce+3.50+ and eight Pt+1.50- atoms to form a mixture of face, edge, and corner-sharing PtCe4Pt8 cuboctahedra. There are four shorter (2.68 Å) and two longer (2.72 Å) Pt–Pt bond lengths. In the third Pt+1.50- site, Pt+1.50- is bonded in a 3-coordinate geometry to three equivalent Ce+3.50+ and six Pt+1.50- atoms. In the fourth Pt+1.50- site, Pt+1.50- is bonded in a 12-coordinate geometry to four equivalent Ce+3.50+, six Pt+1.50-, and two equivalent P5+ atoms. Both Pt–Pt bond lengths are 2.93 Å. Both Pt–P bond lengths are 2.47 Å. In the fifth Pt+1.50- site, Pt+1.50- is bonded in a 1-coordinate geometry to four equivalent Ce+3.50+, two equivalent Pt+1.50-, and one P5+ atom. The Pt–P bond length is 2.23 Å. P5+ is bonded in a 5-coordinate geometry to five Pt+1.50- atoms.

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Materials Data on CeSiBIr3 by Materials Project

CeIr3BSi crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Ce is bonded in a 12-coordinate geometry to twelve equivalent Ir, three equivalent B, and three equivalent Si atoms. All Ce–Ir bond lengths are 3.27 Å. All Ce–B bond lengths are 3.20 Å. All Ce–Si bond lengths are 3.20 Å. Ir is bonded in a distorted rectangular see-saw-like geometry to four equivalent Ce, two equivalent B, and two equivalent Si atoms. Both Ir–B bond lengths are 2.32 Å. Both Ir–Si bond lengths are 2.41 Å. B is bonded in a 9-coordinate geometry to three equivalent Ce and six equivalent Ir atoms. Si is bonded in a 6-coordinate geometry to three equivalent Ce and six equivalent Ir atoms.

36 MATERIALS SCIENCE↗
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Materials Data on CeY2(AlPd)3 by Materials Project

CeY2(PdAl)3 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Ce is bonded in a 5-coordinate geometry to five Pd and six Al atoms. There are four shorter (2.93 Å) and one longer (3.05 Å) Ce–Pd bond lengths. There are two shorter (3.23 Å) and four longer (3.33 Å) Ce–Al bond lengths. Y is bonded in a 5-coordinate geometry to five Pd and six Al atoms. There are a spread of Y–Pd bond distances ranging from 2.97–2.99 Å. There are a spread of Y–Al bond distances ranging from 3.20–3.30 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to two equivalent Ce, four equivalent Y, and three Al atoms. There are a spread of Pd–Al bond distances ranging from 2.80–2.83 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to one Ce, two equivalent Y, and six Al atoms. There are two shorter (2.64 Å) and four longer (2.65 Å) Pd–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 4-coordinate geometry to two equivalent Ce, four equivalent Y, and four Pd atoms. In the second Al site, Al is bonded in a 4-coordinate geometry to two equivalent Ce, four equivalent Y, and four Pd atoms.

36 MATERIALS SCIENCE↗
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Materials Data on Na4Ce2(Si4O11)3 by Materials Project

(Na2Ce(Si3O8)2)4O2 crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional and consists of one water molecule and one Na2Ce(Si3O8)2 framework. In the Na2Ce(Si3O8)2 framework, there are two inequivalent Na sites. In the first Na site, Na is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Na–O bond distances ranging from 2.30–2.81 Å. In the second Na site, Na is bonded to five O atoms to form distorted NaO5 trigonal bipyramids that share corners with four SiO4 tetrahedra and edges with two equivalent NaO5 trigonal bipyramids. There are a spread of Na–O bond distances ranging from 2.42–2.73 Å. Ce is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Ce–O bond distances ranging from 2.18–2.76 Å. There are four inequivalent Si sites. In the first Si site, Si is bonded to four O atoms to form corner-sharing SiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.62–1.64 Å. In the second Si site, Si is bonded to four O atoms to form SiO4 tetrahedra that share corners with three SiO4 tetrahedra and a cornercorner with one NaO5 trigonal bipyramid. There are a spread of Si–O bond distances ranging from 1.62–1.65 Å. In the third Si site, Si is bonded to four O atoms to form corner-sharing SiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.60–1.67 Å. In the fourth Si site, Si is bonded to four O atoms to form SiO4 tetrahedra that share corners with three SiO4 tetrahedra and corners with two equivalent NaO5 trigonal bipyramids. There are a spread of Si–O bond distances ranging from 1.61–1.64 Å. There are twelve inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to two Si atoms. In the second O site, O is bonded in a distorted trigonal planar geometry to one Na and two equivalent Si atoms. In the third O site, O is bonded in a distorted linear geometry to one Ce and one Si atom. In the fourth O site, O is bonded in a distorted bent 150 degrees geometry to one Ce and two Si atoms. In the fifth O site, O is bonded to two equivalent Na, one Ce, and one Si atom to form distorted edge-sharing ONa2CeSi tetrahedra. In the sixth O site, O is bonded in a bent 150 degrees geometry to one Na and two equivalent Si atoms. In the seventh O site, O is bonded in a bent 150 degrees geometry to two equivalent Si atoms. In the eighth O site, O is bonded in a distorted trigonal planar geometry to three Na atoms. In the ninth O site, O is bonded in a bent 150 degrees geometry to two equivalent Si atoms. In the tenth O site, O is bonded in a 1-coordinate geometry to one Na, one Ce, and one Si atom. In the eleventh O site, O is bonded in a 3-coordinate geometry to one Na, one Ce, and one Si atom. In the twelfth O site, O is bonded in a distorted bent 120 degrees geometry to two Si atoms.

36 MATERIALS SCIENCE↗
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Materials Data on RbCe(ClO)4 by Materials Project

RbCe(OCl)4 crystallizes in the orthorhombic P2_12_12 space group. The structure is three-dimensional. Rb is bonded in a 8-coordinate geometry to four O and four equivalent Cl atoms. There are two shorter (3.39 Å) and two longer (3.47 Å) Rb–O bond lengths. There are two shorter (3.26 Å) and two longer (3.66 Å) Rb–Cl bond lengths. Ce is bonded in a 8-coordinate geometry to four O and four Cl atoms. There are two shorter (2.35 Å) and two longer (2.41 Å) Ce–O bond lengths. There are two shorter (2.72 Å) and two longer (2.96 Å) Ce–Cl bond lengths. There are two inequivalent O sites. In the first O site, O is bonded in a 3-coordinate geometry to one Rb, one Ce, and one O atom. The O–O bond length is 1.31 Å. In the second O site, O is bonded in a distorted water-like geometry to one Rb, one Ce, and one Cl atom. The O–Cl bond length is 1.66 Å. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a distorted water-like geometry to one Ce and one O atom. In the second Cl site, Cl is bonded in a trigonal planar geometry to two equivalent Rb and one Ce atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeUZn17 by Materials Project

UCeZn17 crystallizes in the trigonal R3m space group. The structure is three-dimensional. U is bonded in a 10-coordinate geometry to nineteen Zn atoms. There are a spread of U–Zn bond distances ranging from 3.10–3.49 Å. Ce is bonded in a 10-coordinate geometry to nineteen Zn atoms. There are a spread of Ce–Zn bond distances ranging from 3.13–3.47 Å. There are six inequivalent Zn sites. In the first Zn site, Zn is bonded in a 12-coordinate geometry to one U, one Ce, and ten Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.60–3.00 Å. In the second Zn site, Zn is bonded in a 12-coordinate geometry to two equivalent U, one Ce, and nine Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.56–2.85 Å. In the third Zn site, Zn is bonded to one U, two equivalent Ce, and nine Zn atoms to form distorted ZnCe2UZn9 cuboctahedra that share corners with seven ZnCe2UZn9 cuboctahedra, edges with seven ZnCeUZn10 cuboctahedra, and faces with seven ZnCe2UZn9 cuboctahedra. There are two shorter (2.64 Å) and one longer (2.88 Å) Zn–Zn bond lengths. In the fourth Zn site, Zn is bonded to one U, one Ce, and ten Zn atoms to form distorted ZnCeUZn10 cuboctahedra that share corners with nine ZnCeUZn10 cuboctahedra, edges with three equivalent ZnCe2UZn9 cuboctahedra, and faces with seven ZnCe2UZn9 cuboctahedra. There are one shorter (2.72 Å) and one longer (2.75 Å) Zn–Zn bond lengths. In the fifth Zn site, Zn is bonded in a 1-coordinate geometry to one Ce and thirteen Zn atoms. The Zn–Zn bond length is 2.70 Å. In the sixth Zn site, Zn is bonded in a 8-coordinate geometry to one U and thirteen Zn atoms.

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