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DOE OSTI2020

Materials Data on CeMg by Materials Project

CeMg crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Mg is bonded to five equivalent Mg and seven equivalent Ce atoms to form a mixture of distorted edge, corner, and face-sharing MgCe7Mg5 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.07–3.40 Å. There are a spread of Mg–Ce bond distances ranging from 3.40–3.56 Å. Ce is bonded in a 12-coordinate geometry to seven equivalent Mg and five equivalent Ce atoms. There are a spread of Ce–Ce bond distances ranging from 2.79–3.51 Å.

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Materials Data on CeSm by Materials Project

SmCe is alpha Samarium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sm is bonded to six equivalent Sm and six equivalent Ce atoms to form SmCe6Sm6 cuboctahedra that share corners with eighteen equivalent SmCe6Sm6 cuboctahedra, edges with six equivalent SmCe6Sm6 cuboctahedra, edges with twelve equivalent CeCe6Sm6 cuboctahedra, faces with eight equivalent SmCe6Sm6 cuboctahedra, and faces with twelve equivalent CeCe6Sm6 cuboctahedra. All Sm–Sm bond lengths are 3.51 Å. All Sm–Ce bond lengths are 3.56 Å. Ce is bonded to six equivalent Sm and six equivalent Ce atoms to form CeCe6Sm6 cuboctahedra that share corners with twelve equivalent CeCe6Sm6 cuboctahedra, edges with twelve equivalent SmCe6Sm6 cuboctahedra, edges with twelve equivalent CeCe6Sm6 cuboctahedra, faces with six equivalent CeCe6Sm6 cuboctahedra, and faces with twelve equivalent SmCe6Sm6 cuboctahedra. All Ce–Ce bond lengths are 3.51 Å.

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Materials Data on Ce2(Ga3Rh)3 by Materials Project

Ce2(RhGa3)3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ce is bonded in a 11-coordinate geometry to eleven Ga atoms. There are a spread of Ce–Ga bond distances ranging from 3.05–3.19 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 8-coordinate geometry to eight Ga atoms. There are a spread of Rh–Ga bond distances ranging from 2.58–2.67 Å. In the second Rh site, Rh is bonded in a 8-coordinate geometry to eight Ga atoms. There are a spread of Rh–Ga bond distances ranging from 2.57–2.66 Å. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Ce, two equivalent Rh, and six Ga atoms. There are four shorter (2.76 Å) and two longer (2.77 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 3-coordinate geometry to three equivalent Ce, three Rh, and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.79–2.97 Å. In the third Ga site, Ga is bonded in a 3-coordinate geometry to two equivalent Ce, three Rh, and five Ga atoms. There are one shorter (2.81 Å) and two longer (2.83 Å) Ga–Ga bond lengths. In the fourth Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Ce, two equivalent Rh, and six Ga atoms. The Ga–Ga bond length is 2.73 Å.

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Materials Data on CeFeNi4 by Materials Project

CeFeNi4 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Ce is bonded in a distorted hexagonal planar geometry to three equivalent Fe and fifteen Ni atoms. All Ce–Fe bond lengths are 2.86 Å. There are three shorter (2.86 Å) and twelve longer (3.20 Å) Ce–Ni bond lengths. Fe is bonded to three equivalent Ce and nine Ni atoms to form distorted FeCe3Ni9 cuboctahedra that share corners with twenty-one NiCe3Fe3Ni6 cuboctahedra, edges with six equivalent FeCe3Ni9 cuboctahedra, faces with two equivalent FeCe3Ni9 cuboctahedra, and faces with twenty-one NiCe3Fe3Ni6 cuboctahedra. There are six shorter (2.48 Å) and three longer (2.86 Å) Fe–Ni bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded to three equivalent Ce, three equivalent Fe, and six equivalent Ni atoms to form distorted NiCe3Fe3Ni6 cuboctahedra that share corners with nine equivalent FeCe3Ni9 cuboctahedra, corners with twelve equivalent NiCe4Fe2Ni6 cuboctahedra, edges with six equivalent NiCe3Fe3Ni6 cuboctahedra, faces with three equivalent FeCe3Ni9 cuboctahedra, and faces with twenty NiCe3Fe3Ni6 cuboctahedra. All Ni–Ni bond lengths are 2.48 Å. In the second Ni site, Ni is bonded to four equivalent Ce, two equivalent Fe, and six Ni atoms to form NiCe4Fe2Ni6 cuboctahedra that share corners with four equivalent FeCe3Ni9 cuboctahedra, corners with twenty NiCe3Fe3Ni6 cuboctahedra, edges with ten equivalent NiCe4Fe2Ni6 cuboctahedra, faces with six equivalent FeCe3Ni9 cuboctahedra, and faces with sixteen NiCe3Fe3Ni6 cuboctahedra. There are two shorter (2.47 Å) and two longer (2.48 Å) Ni–Ni bond lengths.

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Materials Data on CeAlCu4 by Materials Project

CeCu4Al crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Ce is bonded in a 6-coordinate geometry to fifteen Cu and three equivalent Al atoms. There are three shorter (3.30 Å) and twelve longer (3.63 Å) Ce–Cu bond lengths. All Ce–Al bond lengths are 3.30 Å. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 12-coordinate geometry to three equivalent Ce and six equivalent Cu atoms. All Cu–Cu bond lengths are 2.77 Å. In the second Cu site, Cu is bonded to four equivalent Ce, six Cu, and two equivalent Al atoms to form a mixture of distorted face, edge, and corner-sharing CuCe4Al2Cu6 cuboctahedra. There are two shorter (2.84 Å) and two longer (2.88 Å) Cu–Cu bond lengths. Both Cu–Al bond lengths are 2.78 Å. Al is bonded in a 9-coordinate geometry to three equivalent Ce and six equivalent Cu atoms.

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Materials Data on CeAl3Cu by Materials Project

CeCuAl3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Ce is bonded in a 8-coordinate geometry to four equivalent Cu and twelve Al atoms. All Ce–Cu bond lengths are 3.31 Å. There are a spread of Ce–Al bond distances ranging from 3.16–3.39 Å. Cu is bonded in a 5-coordinate geometry to four equivalent Ce and five Al atoms. There are one shorter (2.37 Å) and four longer (2.46 Å) Cu–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a distorted single-bond geometry to four equivalent Ce and one Cu atom. In the second Al site, Al is bonded in a distorted bent 120 degrees geometry to four equivalent Ce and two equivalent Cu atoms.

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Materials Data on BaCe3 by Materials Project

BaCe3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ba is bonded to twelve equivalent Ce atoms to form a mixture of distorted corner and face-sharing BaCe12 cuboctahedra. There are six shorter (3.63 Å) and six longer (3.88 Å) Ba–Ce bond lengths. Ce is bonded in a 12-coordinate geometry to four equivalent Ba and six equivalent Ce atoms. There are two shorter (2.89 Å) and four longer (3.40 Å) Ce–Ce bond lengths.

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Materials Data on CeTm4S7 by Materials Project

Tm4CeS7 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are four inequivalent Tm sites. In the first Tm site, Tm is bonded to seven S atoms to form distorted TmS7 pentagonal bipyramids that share corners with four TmS6 octahedra, corners with four equivalent CeS6 octahedra, an edgeedge with one CeS6 octahedra, edges with three equivalent TmS6 octahedra, edges with two equivalent TmS7 pentagonal bipyramids, and faces with two equivalent TmS7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 22–64°. There are a spread of Tm–S bond distances ranging from 2.71–2.93 Å. In the second Tm site, Tm is bonded to seven S atoms to form distorted TmS7 pentagonal bipyramids that share corners with two equivalent CeS6 octahedra, corners with six TmS6 octahedra, edges with four TmS6 octahedra, edges with two equivalent TmS7 pentagonal bipyramids, and faces with two equivalent TmS7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 22–69°. There are a spread of Tm–S bond distances ranging from 2.73–2.93 Å. In the third Tm site, Tm is bonded to six S atoms to form TmS6 octahedra that share a cornercorner with one TmS6 octahedra, corners with two equivalent CeS6 octahedra, corners with six TmS7 pentagonal bipyramids, edges with two equivalent TmS6 octahedra, edges with three equivalent CeS6 octahedra, and an edgeedge with one TmS7 pentagonal bipyramid. The corner-sharing octahedra tilt angles range from 2–58°. There are a spread of Tm–S bond distances ranging from 2.64–2.83 Å. In the fourth Tm site, Tm is bonded to six S atoms to form TmS6 octahedra that share a cornercorner with one TmS6 octahedra, a cornercorner with one CeS6 octahedra, corners with four TmS7 pentagonal bipyramids, edges with two equivalent TmS6 octahedra, and edges with six TmS7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 57–58°. There are a spread of Tm–S bond distances ranging from 2.65–2.75 Å. Ce is bonded to six S atoms to form CeS6 octahedra that share corners with three TmS6 octahedra, corners with six TmS7 pentagonal bipyramids, edges with two equivalent CeS6 octahedra, edges with three equivalent TmS6 octahedra, and an edgeedge with one TmS7 pentagonal bipyramid. The corner-sharing octahedra tilt angles range from 2–57°. There are a spread of Ce–S bond distances ranging from 2.76–2.91 Å. There are seven inequivalent S sites. In the first S site, S is bonded to four Tm and one Ce atom to form SCeTm4 trigonal bipyramids that share corners with five SCeTm3 tetrahedra, corners with four STm5 trigonal bipyramids, an edgeedge with one STm4 tetrahedra, and edges with five SCeTm4 trigonal bipyramids. In the second S site, S is bonded to three Tm and two equivalent Ce atoms to form SCe2Tm3 trigonal bipyramids that share corners with five SCeTm3 tetrahedra, corners with four STm5 trigonal bipyramids, an edgeedge with one SCeTm3 tetrahedra, and edges with five SCeTm4 trigonal bipyramids. In the third S site, S is bonded to three Tm and one Ce atom to form SCeTm3 tetrahedra that share corners with three SCeTm3 tetrahedra, corners with nine SCeTm4 trigonal bipyramids, and edges with four STm5 trigonal bipyramids. In the fourth S site, S is bonded to four Tm atoms to form distorted STm4 tetrahedra that share corners with three SCeTm3 tetrahedra, corners with nine SCeTm4 trigonal bipyramids, and edges with four STm5 trigonal bipyramids. In the fifth S site, S is bonded in a rectangular see-saw-like geometry to two equivalent Tm and two equivalent Ce atoms. In the sixth S site, S is bonded to five Tm atoms to form distorted STm5 trigonal bipyramids that share corners with four equivalent SCeTm3 tetrahedra, corners with six STm5 trigonal bipyramids, edges with three SCeTm3 tetrahedra, and edges with six SCe2Tm3 trigonal bipyramids. In the seventh S site, S is bonded to five Tm atoms to form distorted STm5 trigonal bipyramids that share corners with four equivalent STm4 tetrahedra, corners with six SCeTm4 trigonal bipyramids, edges with three SCeTm3 tetrahedra, and edges with six SCeTm4 trigonal bipyramids.

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Materials Data on Ce3Gd by Materials Project

GdCe3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Gd is bonded to twelve equivalent Ce atoms to form GdCe12 cuboctahedra that share corners with twelve equivalent GdCe12 cuboctahedra, edges with twenty-four equivalent CeCe8Gd4 cuboctahedra, faces with six equivalent GdCe12 cuboctahedra, and faces with twelve equivalent CeCe8Gd4 cuboctahedra. All Gd–Ce bond lengths are 3.42 Å. Ce is bonded to four equivalent Gd and eight equivalent Ce atoms to form CeCe8Gd4 cuboctahedra that share corners with twelve equivalent CeCe8Gd4 cuboctahedra, edges with eight equivalent GdCe12 cuboctahedra, edges with sixteen equivalent CeCe8Gd4 cuboctahedra, faces with four equivalent GdCe12 cuboctahedra, and faces with fourteen equivalent CeCe8Gd4 cuboctahedra. All Ce–Ce bond lengths are 3.42 Å.

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Materials Data on CeGaNi4 by Materials Project

CeNi4Ga crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Ce is bonded in a 6-coordinate geometry to fifteen Ni and three equivalent Ga atoms. There are three shorter (2.94 Å) and twelve longer (3.20 Å) Ce–Ni bond lengths. All Ce–Ga bond lengths are 2.94 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded to three equivalent Ce, six equivalent Ni, and three equivalent Ga atoms to form distorted NiCe3Ga3Ni6 cuboctahedra that share corners with nine equivalent GaCe3Ni9 cuboctahedra, corners with twelve equivalent NiCe4Ga2Ni6 cuboctahedra, edges with six equivalent NiCe3Ga3Ni6 cuboctahedra, faces with three equivalent GaCe3Ni9 cuboctahedra, and faces with twenty NiCe3Ga3Ni6 cuboctahedra. All Ni–Ni bond lengths are 2.42 Å. All Ni–Ga bond lengths are 2.94 Å. In the second Ni site, Ni is bonded to four equivalent Ce, six Ni, and two equivalent Ga atoms to form distorted NiCe4Ga2Ni6 cuboctahedra that share corners with four equivalent GaCe3Ni9 cuboctahedra, corners with twenty NiCe3Ga3Ni6 cuboctahedra, edges with ten equivalent NiCe4Ga2Ni6 cuboctahedra, faces with six equivalent GaCe3Ni9 cuboctahedra, and faces with sixteen NiCe3Ga3Ni6 cuboctahedra. There are two shorter (2.50 Å) and two longer (2.59 Å) Ni–Ni bond lengths. Both Ni–Ga bond lengths are 2.45 Å. Ga is bonded to three equivalent Ce and nine Ni atoms to form distorted GaCe3Ni9 cuboctahedra that share corners with twenty-one NiCe3Ga3Ni6 cuboctahedra, edges with six equivalent GaCe3Ni9 cuboctahedra, faces with two equivalent GaCe3Ni9 cuboctahedra, and faces with twenty-one NiCe3Ga3Ni6 cuboctahedra.

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Materials Data on CeAg2 by Materials Project

Ag2Ce crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Ce is bonded in a 12-coordinate geometry to two equivalent Ce and twelve equivalent Ag atoms. Both Ce–Ce bond lengths are 3.28 Å. There are a spread of Ce–Ag bond distances ranging from 3.22–3.37 Å. Ag is bonded in a 10-coordinate geometry to six equivalent Ce and four equivalent Ag atoms. There are a spread of Ag–Ag bond distances ranging from 2.86–3.01 Å.

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Materials Data on Ce2Fe12Co5N3 by Materials Project

Ce2Fe12Co5N3 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ce is bonded in a trigonal planar geometry to four Co and three equivalent N atoms. There are one shorter (3.16 Å) and three longer (3.34 Å) Ce–Co bond lengths. All Ce–N bond lengths are 2.49 Å. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a single-bond geometry to four Co and one N atom. There are two shorter (2.45 Å) and two longer (2.69 Å) Fe–Co bond lengths. The Fe–N bond length is 1.89 Å. In the second Fe site, Fe is bonded in a single-bond geometry to three Co and one N atom. There are two shorter (2.44 Å) and one longer (2.62 Å) Fe–Co bond lengths. The Fe–N bond length is 1.93 Å. 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 two equivalent NCe2Fe4 octahedra, faces with four equivalent CoCe2Fe8Co2 cuboctahedra, and faces with four equivalent NCe2Fe4 octahedra. The corner-sharing octahedral tilt angles are 45°. Both Co–Co bond lengths are 2.65 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 2.35 Å. N is bonded to two equivalent Ce and four Fe atoms to form NCe2Fe4 octahedra that share corners with two equivalent CoCe2Fe8Co2 cuboctahedra, corners with four equivalent NCe2Fe4 octahedra, and faces with four equivalent CoCe2Fe8Co2 cuboctahedra. The corner-sharing octahedral tilt angles are 60°.

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Materials Data on CeGa3Ni by Materials Project

CeNiGa3 crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. Ce is bonded in a 8-coordinate geometry to four equivalent Ni and twelve Ga atoms. All Ce–Ni bond lengths are 3.32 Å. There are eight shorter (3.20 Å) and four longer (3.32 Å) Ce–Ga bond lengths. Ni is bonded to four equivalent Ce and eight Ga atoms to form distorted NiCe4Ga8 cuboctahedra that share corners with four equivalent GaCe4Ga4Ni4 cuboctahedra, corners with twelve equivalent NiCe4Ga8 cuboctahedra, edges with two equivalent GaCe4Ga4Ni4 cuboctahedra, faces with four equivalent NiCe4Ga8 cuboctahedra, and faces with four equivalent GaCe4Ga4Ni4 cuboctahedra. There are four shorter (2.49 Å) and four longer (2.95 Å) Ni–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to four equivalent Ce, two equivalent Ni, and three Ga atoms. There are one shorter (2.47 Å) and two longer (2.49 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded to four equivalent Ce, four equivalent Ni, and four equivalent Ga atoms to form GaCe4Ga4Ni4 cuboctahedra that share corners with four equivalent NiCe4Ga8 cuboctahedra, corners with twelve equivalent GaCe4Ga4Ni4 cuboctahedra, edges with two equivalent NiCe4Ga8 cuboctahedra, faces with four equivalent NiCe4Ga8 cuboctahedra, and faces with four equivalent GaCe4Ga4Ni4 cuboctahedra.

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Materials Data on CeYFe17 by Materials Project

CeYFe17 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ce is bonded in a 8-coordinate geometry to twenty Fe atoms. There are a spread of Ce–Fe bond distances ranging from 2.96–3.21 Å. Y is bonded in a 6-coordinate geometry to eighteen Fe atoms. There are a spread of Y–Fe bond distances ranging from 2.97–3.28 Å. There are four inequivalent Fe sites. In the first Fe site, Fe is bonded in a 2-coordinate geometry to one Ce and thirteen Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.38–2.79 Å. In the second Fe site, Fe is bonded to one Ce, two equivalent Y, and nine Fe atoms to form a mixture of corner, edge, and face-sharing FeCeY2Fe9 cuboctahedra. There are a spread of Fe–Fe bond distances ranging from 2.45–2.61 Å. In the third Fe site, Fe is bonded to two equivalent Ce and ten Fe atoms to form a mixture of corner, edge, and face-sharing FeCe2Fe10 cuboctahedra. All Fe–Fe bond lengths are 2.46 Å. In the fourth Fe site, Fe is bonded in a 12-coordinate geometry to one Ce, one Y, and ten Fe atoms. There are one shorter (2.47 Å) and one longer (2.57 Å) Fe–Fe bond lengths.

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Materials Data on Tb2Ce by Materials Project

Tb2Ce is alpha Samarium-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Tb is bonded to nine equivalent Tb and three equivalent Ce atoms to form TbTb9Ce3 cuboctahedra that share corners with six equivalent CeTb6Ce6 cuboctahedra, corners with nine equivalent TbTb9Ce3 cuboctahedra, edges with six equivalent CeTb6Ce6 cuboctahedra, edges with fifteen equivalent TbTb9Ce3 cuboctahedra, faces with seven equivalent CeTb6Ce6 cuboctahedra, and faces with twelve equivalent TbTb9Ce3 cuboctahedra. There are three shorter (3.52 Å) and six longer (3.55 Å) Tb–Tb bond lengths. All Tb–Ce bond lengths are 3.48 Å. Ce is bonded to six equivalent Tb and six equivalent Ce atoms to form CeTb6Ce6 cuboctahedra that share corners with six equivalent CeTb6Ce6 cuboctahedra, corners with twelve equivalent TbTb9Ce3 cuboctahedra, edges with six equivalent CeTb6Ce6 cuboctahedra, edges with twelve equivalent TbTb9Ce3 cuboctahedra, faces with six equivalent CeTb6Ce6 cuboctahedra, and faces with fourteen equivalent TbTb9Ce3 cuboctahedra. All Ce–Ce bond lengths are 3.55 Å.

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Materials Data on CeSiNi4 by Materials Project

CeNi4Si is Frank-Kasper $\mu$ Phase-derived structured and crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Ce is bonded in a 6-coordinate geometry to fourteen Ni and four equivalent Si atoms. There are a spread of Ce–Ni bond distances ranging from 2.77–3.13 Å. All Ce–Si bond lengths are 3.22 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Ce, seven Ni, and two equivalent Si atoms. There are a spread of Ni–Ni bond distances ranging from 2.48–2.91 Å. Both Ni–Si bond lengths are 2.40 Å. In the second Ni site, Ni is bonded to four equivalent Ce, six Ni, and two equivalent Si atoms to form NiCe4Si2Ni6 cuboctahedra that share corners with four equivalent SiCe4Ni8 cuboctahedra, corners with twelve equivalent NiCe4Si2Ni6 cuboctahedra, edges with four equivalent SiCe4Ni8 cuboctahedra, edges with six equivalent NiCe4Si2Ni6 cuboctahedra, faces with four equivalent SiCe4Ni8 cuboctahedra, and faces with six equivalent NiCe4Si2Ni6 cuboctahedra. Both Ni–Ni bond lengths are 2.52 Å. Both Ni–Si bond lengths are 2.40 Å. Si is bonded to four equivalent Ce and eight Ni atoms to form distorted SiCe4Ni8 cuboctahedra that share corners with eight equivalent NiCe4Si2Ni6 cuboctahedra, corners with eight equivalent SiCe4Ni8 cuboctahedra, edges with two equivalent SiCe4Ni8 cuboctahedra, edges with eight equivalent NiCe4Si2Ni6 cuboctahedra, faces with two equivalent SiCe4Ni8 cuboctahedra, and faces with eight equivalent NiCe4Si2Ni6 cuboctahedra.

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Materials Data on Ce3Pm by Materials Project

PmCe3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pm is bonded to twelve equivalent Ce atoms to form PmCe12 cuboctahedra that share corners with twelve equivalent PmCe12 cuboctahedra, edges with twenty-four equivalent CeCe8Pm4 cuboctahedra, faces with six equivalent PmCe12 cuboctahedra, and faces with twelve equivalent CeCe8Pm4 cuboctahedra. All Pm–Ce bond lengths are 3.42 Å. Ce is bonded to four equivalent Pm and eight equivalent Ce atoms to form CeCe8Pm4 cuboctahedra that share corners with twelve equivalent CeCe8Pm4 cuboctahedra, edges with eight equivalent PmCe12 cuboctahedra, edges with sixteen equivalent CeCe8Pm4 cuboctahedra, faces with four equivalent PmCe12 cuboctahedra, and faces with fourteen equivalent CeCe8Pm4 cuboctahedra. All Ce–Ce bond lengths are 3.42 Å.

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Materials Data on CeGaPt4 by Materials Project

CePt4Ga crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Ce is bonded in a 6-coordinate geometry to fifteen Pt and three equivalent Ga atoms. There are three shorter (3.18 Å) and twelve longer (3.49 Å) Ce–Pt bond lengths. All Ce–Ga bond lengths are 3.18 Å. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded to three equivalent Ce, six equivalent Pt, and three equivalent Ga atoms to form distorted PtCe3Ga3Pt6 cuboctahedra that share corners with nine equivalent GaCe3Pt9 cuboctahedra, corners with twelve equivalent PtCe4Ga2Pt6 cuboctahedra, edges with six equivalent PtCe3Ga3Pt6 cuboctahedra, faces with three equivalent GaCe3Pt9 cuboctahedra, and faces with twenty PtCe3Ga3Pt6 cuboctahedra. All Pt–Pt bond lengths are 2.67 Å. All Pt–Ga bond lengths are 3.18 Å. In the second Pt site, Pt is bonded to four equivalent Ce, six Pt, and two equivalent Ga atoms to form distorted PtCe4Ga2Pt6 cuboctahedra that share corners with four equivalent GaCe3Pt9 cuboctahedra, corners with twenty PtCe3Ga3Pt6 cuboctahedra, edges with ten equivalent PtCe4Ga2Pt6 cuboctahedra, faces with six equivalent GaCe3Pt9 cuboctahedra, and faces with sixteen PtCe3Ga3Pt6 cuboctahedra. There are two shorter (2.74 Å) and two longer (2.77 Å) Pt–Pt bond lengths. Both Pt–Ga bond lengths are 2.66 Å. Ga is bonded to three equivalent Ce and nine Pt atoms to form distorted GaCe3Pt9 cuboctahedra that share corners with twenty-one PtCe3Ga3Pt6 cuboctahedra, edges with six equivalent GaCe3Pt9 cuboctahedra, faces with two equivalent GaCe3Pt9 cuboctahedra, and faces with twenty-one PtCe3Ga3Pt6 cuboctahedra.

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