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At least 1,333 records · Page 74
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DOE OSTI2020

Materials Data on Ce2Ni2Sn by Materials Project

Ce2Ni2Sn crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Ce is bonded in a 10-coordinate geometry to six equivalent Ni and four equivalent Sn atoms. There are two shorter (2.95 Å) and four longer (2.99 Å) Ce–Ni bond lengths. There are two shorter (3.26 Å) and two longer (3.34 Å) Ce–Sn bond lengths. Ni is bonded in a 9-coordinate geometry to six equivalent Ce, one Ni, and two equivalent Sn atoms. The Ni–Ni bond length is 2.46 Å. Both Ni–Sn bond lengths are 2.75 Å. Sn is bonded to eight equivalent Ce and four equivalent Ni atoms to form a mixture of edge and face-sharing SnCe8Ni4 cuboctahedra.

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DOE OSTI2020

Materials Data on CeCuSn by Materials Project

CeCuSn is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ce is bonded to six equivalent Cu and six equivalent Sn atoms to form a mixture of edge and face-sharing CeCu6Sn6 cuboctahedra. All Ce–Cu bond lengths are 3.28 Å. All Ce–Sn bond lengths are 3.28 Å. Cu is bonded in a 9-coordinate geometry to six equivalent Ce and three equivalent Sn atoms. All Cu–Sn bond lengths are 2.64 Å. Sn is bonded in a 9-coordinate geometry to six equivalent Ce and three equivalent Cu atoms.

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DOE OSTI2020

Materials Data on Ce2MgCu2 by Materials Project

Ce2Cu2Mg crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Mg is bonded to eight equivalent Ce and four equivalent Cu atoms to form a mixture of distorted corner and face-sharing MgCe8Cu4 cuboctahedra. All Mg–Ce bond lengths are 3.42 Å. All Mg–Cu bond lengths are 3.07 Å. Ce is bonded in a 6-coordinate geometry to four equivalent Mg and six equivalent Cu atoms. There are two shorter (2.92 Å) and four longer (2.98 Å) Ce–Cu bond lengths. Cu is bonded in a 9-coordinate geometry to two equivalent Mg, six equivalent Ce, and one Cu atom. The Cu–Cu bond length is 2.65 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce2BiO2 by Materials Project

Ce2BiO2 is alpha bismuth trifluoride-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ce is bonded in a 4-coordinate geometry to four equivalent Bi and four equivalent O atoms. All Ce–Bi bond lengths are 3.52 Å. All Ce–O bond lengths are 2.34 Å. Bi is bonded in a body-centered cubic geometry to eight equivalent Ce atoms. O is bonded to four equivalent Ce atoms to form a mixture of edge and corner-sharing OCe4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce8SbPd24 by Materials Project

Ce8Pd24Sb crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ce is bonded to twelve Pd atoms to form CePd12 cuboctahedra that share corners with twelve equivalent CePd12 cuboctahedra, edges with six equivalent PdCe4Pd8 cuboctahedra, faces with three equivalent PdCe4Pd8 cuboctahedra, faces with six equivalent CePd12 cuboctahedra, and a faceface with one SbPd6 octahedra. There are a spread of Ce–Pd bond distances ranging from 3.01–3.04 Å. There are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a 5-coordinate geometry to four equivalent Ce and one Sb atom. The Pd–Sb bond length is 2.69 Å. In the second Pd site, Pd is bonded in a 4-coordinate geometry to four equivalent Ce and two equivalent Pd atoms. Both Pd–Pd bond lengths are 2.93 Å. In the third Pd site, Pd is bonded to four equivalent Ce and eight Pd atoms to form distorted PdCe4Pd8 cuboctahedra that share edges with eight equivalent CePd12 cuboctahedra, faces with four equivalent CePd12 cuboctahedra, and faces with six equivalent PdCe4Pd8 cuboctahedra. All Pd–Pd bond lengths are 2.94 Å. Sb is bonded to six equivalent Pd atoms to form SbPd6 octahedra that share faces with eight equivalent CePd12 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeSiI by Materials Project

CeSiI crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one CeSiI sheet oriented in the (0, 0, 1) direction. Ce is bonded in a 9-coordinate geometry to six equivalent Si and three equivalent I atoms. There are three shorter (3.05 Å) and three longer (3.11 Å) Ce–Si bond lengths. All Ce–I bond lengths are 3.23 Å. Si is bonded in a 9-coordinate geometry to six equivalent Ce and three equivalent Si atoms. All Si–Si bond lengths are 2.40 Å. I is bonded in a 3-coordinate geometry to three equivalent Ce atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Li2CeGe by Materials Project

Li2CeGe crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Li is bonded in a distorted body-centered cubic geometry to one Li, three equivalent Ce, and four equivalent Ge atoms. The Li–Li bond length is 2.15 Å. All Li–Ce bond lengths are 2.87 Å. There are one shorter (2.64 Å) and three longer (2.97 Å) Li–Ge bond lengths. Ce is bonded to six equivalent Li and six equivalent Ge atoms to form a mixture of distorted face and corner-sharing CeLi6Ge6 cuboctahedra. All Ce–Ge bond lengths are 3.33 Å. Ge is bonded in a 2-coordinate geometry to eight equivalent Li and six equivalent Ce atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeSi2Ru3 by Materials Project

CeRu3Si2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Ce is bonded in a 1-coordinate geometry to twelve equivalent Ru and six equivalent Si atoms. All Ce–Ru bond lengths are 3.34 Å. All Ce–Si bond lengths are 3.25 Å. Ru is bonded in a distorted square co-planar geometry to four equivalent Ce and four equivalent Si atoms. All Ru–Si bond lengths are 2.43 Å. Si is bonded in a 9-coordinate geometry to three equivalent Ce and six equivalent Ru atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeMg2Cu by Materials Project

Mg2CeCu is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg is bonded in a body-centered cubic geometry to four equivalent Ce and four equivalent Cu atoms. All Mg–Ce bond lengths are 3.03 Å. All Mg–Cu bond lengths are 3.03 Å. Ce is bonded in a distorted body-centered cubic geometry to eight equivalent Mg and six equivalent Cu atoms. All Ce–Cu bond lengths are 3.50 Å. Cu is bonded in a distorted body-centered cubic geometry to eight equivalent Mg and six equivalent Ce atoms.

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DOE OSTI2020

Materials Data on CeCd2Ag by Materials Project

CeAgCd2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ce is bonded in a distorted body-centered cubic geometry to six equivalent Ag and eight equivalent Cd atoms. All Ce–Ag bond lengths are 3.62 Å. All Ce–Cd bond lengths are 3.14 Å. Ag is bonded in a distorted body-centered cubic geometry to six equivalent Ce and eight equivalent Cd atoms. All Ag–Cd bond lengths are 3.14 Å. Cd is bonded in a body-centered cubic geometry to four equivalent Ce and four equivalent Ag atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeMg2Ag by Materials Project

Mg2CeAg is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg is bonded in a body-centered cubic geometry to four equivalent Ce and four equivalent Ag atoms. All Mg–Ce bond lengths are 3.11 Å. All Mg–Ag bond lengths are 3.11 Å. Ce is bonded in a distorted body-centered cubic geometry to eight equivalent Mg and six equivalent Ag atoms. All Ce–Ag bond lengths are 3.59 Å. Ag is bonded in a distorted body-centered cubic geometry to eight equivalent Mg and six equivalent Ce atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeAgSn by Materials Project

CeAgSn crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Ce is bonded in a 12-coordinate geometry to six equivalent Ag and six equivalent Sn atoms. There are three shorter (3.19 Å) and three longer (3.58 Å) Ce–Ag bond lengths. There are three shorter (3.28 Å) and three longer (3.47 Å) Ce–Sn bond lengths. Ag is bonded in a 10-coordinate geometry to six equivalent Ce and four equivalent Sn atoms. There are three shorter (2.85 Å) and one longer (3.22 Å) Ag–Sn bond lengths. Sn is bonded in a 10-coordinate geometry to six equivalent Ce and four equivalent Ag atoms.

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DOE OSTI2020

Materials Data on CeGa3Pd2 by Materials Project

CePd2Ga3 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Ce is bonded in a distorted hexagonal planar geometry to six equivalent Pd and twelve equivalent Ga atoms. All Ce–Pd bond lengths are 3.12 Å. All Ce–Ga bond lengths are 3.46 Å. Pd is bonded in a 9-coordinate geometry to three equivalent Ce and six equivalent Ga atoms. All Pd–Ga bond lengths are 2.66 Å. Ga is bonded to four equivalent Ce and four equivalent Pd atoms to form a mixture of distorted edge, face, and corner-sharing GaCe4Pd4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeGeAu by Materials Project

CeAuGe crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Ce is bonded to six equivalent Au and six equivalent Ge atoms to form a mixture of distorted edge and face-sharing CeGe6Au6 cuboctahedra. There are three shorter (3.17 Å) and three longer (3.36 Å) Ce–Au bond lengths. There are three shorter (3.15 Å) and three longer (3.38 Å) Ce–Ge bond lengths. Au is bonded in a 9-coordinate geometry to six equivalent Ce and three equivalent Ge atoms. All Au–Ge bond lengths are 2.60 Å. Ge is bonded in a 3-coordinate geometry to six equivalent Ce and three equivalent Au atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce6P17Pd6 by Materials Project

Ce6Pd6P17 crystallizes in the cubic I-43m space group. The structure is three-dimensional. Ce+3.17+ is bonded in a 7-coordinate geometry to seven P+2.06- atoms. There are a spread of Ce–P bond distances ranging from 2.92–3.17 Å. Pd+2.67+ is bonded in a square co-planar geometry to four equivalent P+2.06- atoms. All Pd–P bond lengths are 2.36 Å. There are three inequivalent P+2.06- sites. In the first P+2.06- site, P+2.06- is bonded in a 5-coordinate geometry to two equivalent Ce+3.17+, two equivalent Pd+2.67+, and one P+2.06- atom. The P–P bond length is 2.22 Å. In the second P+2.06- site, P+2.06- is bonded to three equivalent Ce+3.17+ and three equivalent P+2.06- atoms to form distorted PCe3P3 pentagonal pyramids that share corners with three equivalent PCe3P3 pentagonal pyramids and a faceface with one PCe6 octahedra. In the third P+2.06- site, P+2.06- is bonded to six equivalent Ce+3.17+ atoms to form face-sharing PCe6 octahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeGeRh by Materials Project

CeRhGe crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ce is bonded in a 1-coordinate geometry to six equivalent Rh and six equivalent Ge atoms. There are a spread of Ce–Rh bond distances ranging from 2.94–3.42 Å. There are a spread of Ce–Ge bond distances ranging from 3.10–3.21 Å. Rh is bonded in a 10-coordinate geometry to six equivalent Ce and four equivalent Ge atoms. There are a spread of Rh–Ge bond distances ranging from 2.58–2.76 Å. Ge is bonded in a 10-coordinate geometry to six equivalent Ce and four equivalent Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeMnSi by Materials Project

CeMnSi is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Ce is bonded in a 9-coordinate geometry to four equivalent Mn and five equivalent Si atoms. All Ce–Mn bond lengths are 2.90 Å. There are four shorter (3.02 Å) and one longer (3.33 Å) Ce–Si bond lengths. Mn is bonded in a 4-coordinate geometry to four equivalent Ce and four equivalent Si atoms. All Mn–Si bond lengths are 2.39 Å. Si is bonded in a 9-coordinate geometry to five equivalent Ce and four equivalent Mn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce2Sc3Si4 by Materials Project

Ce2Sc3Si4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ce+3.50+ is bonded to seven Si4- atoms to form distorted CeSi7 pentagonal bipyramids that share corners with four equivalent ScSi6 octahedra, corners with six equivalent CeSi7 pentagonal bipyramids, corners with five equivalent ScSi6 pentagonal pyramids, edges with two equivalent CeSi7 pentagonal bipyramids, edges with three equivalent ScSi6 pentagonal pyramids, faces with two equivalent ScSi6 octahedra, faces with three equivalent CeSi7 pentagonal bipyramids, and faces with three equivalent ScSi6 pentagonal pyramids. The corner-sharing octahedra tilt angles range from 45–54°. There are a spread of Ce–Si bond distances ranging from 2.96–3.36 Å. There are two inequivalent Sc3+ sites. In the first Sc3+ site, Sc3+ is bonded to six Si4- atoms to form ScSi6 octahedra that share corners with four equivalent ScSi6 octahedra, corners with eight equivalent CeSi7 pentagonal bipyramids, corners with six equivalent ScSi6 pentagonal pyramids, faces with four equivalent CeSi7 pentagonal bipyramids, and faces with four equivalent ScSi6 pentagonal pyramids. The corner-sharing octahedra tilt angles range from 53–54°. There are a spread of Sc–Si bond distances ranging from 2.83–3.01 Å. In the second Sc3+ site, Sc3+ is bonded to six Si4- atoms to form distorted ScSi6 pentagonal pyramids that share corners with three equivalent ScSi6 octahedra, corners with five equivalent CeSi7 pentagonal bipyramids, corners with four equivalent ScSi6 pentagonal pyramids, edges with three equivalent CeSi7 pentagonal bipyramids, edges with three equivalent ScSi6 pentagonal pyramids, faces with two equivalent ScSi6 octahedra, faces with three equivalent CeSi7 pentagonal bipyramids, and a faceface with one ScSi6 pentagonal pyramid. The corner-sharing octahedral tilt angles are 40°. There are a spread of Sc–Si bond distances ranging from 2.76–2.87 Å. There are three inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 9-coordinate geometry to four equivalent Ce+3.50+, four Sc3+, and one Si4- atom. The Si–Si bond length is 2.57 Å. In the second Si4- site, Si4- is bonded in a 9-coordinate geometry to two equivalent Ce+3.50+, six Sc3+, and one Si4- atom. In the third Si4- site, Si4- is bonded in a 9-coordinate geometry to four equivalent Ce+3.50+, four Sc3+, and one Si4- atom. The Si–Si bond length is 2.54 Å.

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