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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on CeZn5 by Materials Project

CeZn5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Ce is bonded in a 6-coordinate geometry to eighteen Zn atoms. There are six shorter (3.11 Å) and twelve longer (3.44 Å) Ce–Zn bond lengths. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded to four equivalent Ce and eight Zn atoms to form a mixture of edge, corner, and face-sharing ZnCe4Zn8 cuboctahedra. There are four shorter (2.64 Å) and four longer (2.69 Å) Zn–Zn bond lengths. In the second Zn site, Zn is bonded in a 12-coordinate geometry to three equivalent Ce and six equivalent Zn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce2Zn17 by Materials Project

Ce2Zn17 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ce is bonded in a 10-coordinate geometry to nineteen Zn atoms. There are a spread of Ce–Zn bond distances ranging from 3.14–3.47 Å. There are four inequivalent Zn sites. In the first Zn site, Zn is bonded in a 2-coordinate geometry to one Ce and thirteen Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.65–2.97 Å. In the second Zn site, Zn is bonded to two equivalent Ce and ten Zn atoms to form ZnCe2Zn10 cuboctahedra that share corners with twenty-two ZnCe2Zn10 cuboctahedra, edges with ten ZnCe3Zn9 cuboctahedra, and faces with eighteen ZnCe2Zn10 cuboctahedra. There are four shorter (2.60 Å) and four longer (2.65 Å) Zn–Zn bond lengths. In the third Zn site, Zn is bonded to two equivalent Ce and ten Zn atoms to form a mixture of distorted corner, edge, and face-sharing ZnCe2Zn10 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.66–2.77 Å. In the fourth Zn site, Zn is bonded to three equivalent Ce and nine Zn atoms to form a mixture of distorted corner, edge, and face-sharing ZnCe3Zn9 cuboctahedra. Both Zn–Zn bond lengths are 2.58 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeZn3 by Materials Project

Zn3Ce crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ce is bonded in a 9-coordinate geometry to fifteen Zn atoms. There are a spread of Ce–Zn bond distances ranging from 3.06–3.49 Å. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded in a 11-coordinate geometry to five equivalent Ce and six equivalent Zn atoms. There are two shorter (2.75 Å) and four longer (2.77 Å) Zn–Zn bond lengths. In the second Zn site, Zn is bonded in a 10-coordinate geometry to five equivalent Ce and five Zn atoms. There are one shorter (2.54 Å) and one longer (2.58 Å) Zn–Zn bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeZn11 by Materials Project

CeZn11 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 8-coordinate geometry to eighteen Zn atoms. There are a spread of Ce–Zn bond distances ranging from 3.26–3.48 Å. In the second Ce site, Ce is bonded in a 8-coordinate geometry to eighteen Zn atoms. There are a spread of Ce–Zn bond distances ranging from 3.26–3.48 Å. There are twenty-two inequivalent Zn sites. In the first Zn site, Zn is bonded in a 12-coordinate geometry to two Ce and ten Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.57–3.04 Å. In the second Zn site, Zn is bonded in a 12-coordinate geometry to ten Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.61–2.81 Å. In the third Zn site, Zn is bonded in a 12-coordinate geometry to two Ce and ten Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.57–3.05 Å. In the fourth Zn site, Zn is bonded in a 12-coordinate geometry to two Ce and ten Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.56–3.03 Å. In the fifth Zn site, Zn is bonded in a 12-coordinate geometry to two Ce and ten Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.58–2.90 Å. In the sixth Zn site, Zn is bonded in a 12-coordinate geometry to two Ce and ten Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.56–3.05 Å. In the seventh Zn site, Zn is bonded in a 12-coordinate geometry to two Ce and ten Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.59–3.05 Å. In the eighth Zn site, Zn is bonded in a 4-coordinate geometry to two equivalent Ce and twelve Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.79–2.90 Å. In the ninth Zn site, Zn is bonded in a 12-coordinate geometry to two Ce and ten Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.63–3.01 Å. In the tenth Zn site, Zn is bonded in a 4-coordinate geometry to two equivalent Ce and twelve Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.77–2.90 Å. In the eleventh Zn site, Zn is bonded in a 12-coordinate geometry to two Ce and ten Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.56–2.95 Å. In the twelfth Zn site, Zn is bonded in a 12-coordinate geometry to ten Zn atoms. There are two shorter (2.63 Å) and one longer (2.65 Å) Zn–Zn bond lengths. In the thirteenth Zn site, Zn is bonded in a 12-coordinate geometry to two Ce and ten Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.56–3.04 Å. In the fourteenth Zn site, Zn is bonded in a 12-coordinate geometry to two Ce and ten Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.62–2.70 Å. In the fifteenth Zn site, Zn is bonded in a 12-coordinate geometry to two Ce and ten Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.64–2.68 Å. In the sixteenth Zn site, Zn is bonded in a 12-coordinate geometry to two Ce and ten Zn atoms. There are one shorter (2.63 Å) and one longer (2.93 Å) Zn–Zn bond lengths. In the seventeenth Zn site, Zn is bonded in a 12-coordinate geometry to two Ce and ten Zn atoms. The Zn–Zn bond length is 2.56 Å. In the eighteenth Zn site, Zn is bonded in a 12-coordinate geometry to two Ce and ten Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.64–2.99 Å. In the nineteenth Zn site, Zn is bonded in a 12-coordinate geometry to two Ce and ten Zn atoms. There are one shorter (2.61 Å) and one longer (2.63 Å) Zn–Zn bond lengths. In the twentieth Zn site, Zn is bonded in a 12-coordinate geometry to two Ce and ten Zn atoms. In the twenty-first Zn site, Zn is bonded in a 10-coordinate geometry to ten Zn atoms. In the twenty-second Zn site, Zn is bonded in a 10-coordinate geometry to ten Zn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce3Zn11 by Materials Project

Ce3Zn11 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded to sixteen Zn atoms to form distorted CeZn16 cuboctahedra that share corners with four equivalent ZnZn8 cuboctahedra, faces with two equivalent CeZn16 cuboctahedra, and faces with two equivalent ZnZn8 cuboctahedra. There are a spread of Ce–Zn bond distances ranging from 3.11–3.57 Å. In the second Ce site, Ce is bonded in a 4-coordinate geometry to fourteen Zn atoms. There are a spread of Ce–Zn bond distances ranging from 3.06–3.23 Å. There are four inequivalent Zn sites. In the first Zn site, Zn is bonded in a 10-coordinate geometry to five Ce and five Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.48–2.79 Å. In the second Zn site, Zn is bonded in a 10-coordinate geometry to four Ce and six Zn atoms. There are one shorter (2.67 Å) and two longer (2.92 Å) Zn–Zn bond lengths. In the third Zn site, Zn is bonded in a 12-coordinate geometry to four Ce and eight Zn atoms. Both Zn–Zn bond lengths are 2.75 Å. In the fourth Zn site, Zn is bonded to eight Zn atoms to form distorted ZnZn8 cuboctahedra that share corners with four equivalent CeZn16 cuboctahedra, edges with two equivalent ZnZn8 cuboctahedra, and faces with two equivalent CeZn16 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce2Zn17 by Materials Project

Ce2Zn17 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 8-coordinate geometry to twenty Zn atoms. There are a spread of Ce–Zn bond distances ranging from 3.09–3.40 Å. In the second Ce site, Ce is bonded in a 12-coordinate geometry to eighteen Zn atoms. There are a spread of Ce–Zn bond distances ranging from 3.16–3.48 Å. There are four inequivalent Zn sites. In the first Zn site, Zn is bonded to two Ce and ten Zn atoms to form a mixture of distorted corner, edge, and face-sharing ZnCe2Zn10 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.60–2.96 Å. In the second Zn site, Zn is bonded to two equivalent Ce and ten Zn atoms to form ZnCe2Zn10 cuboctahedra that share corners with twenty-two ZnCe2Zn10 cuboctahedra, edges with ten ZnCe3Zn9 cuboctahedra, and faces with eighteen ZnCe2Zn10 cuboctahedra. There are four shorter (2.64 Å) and two longer (2.74 Å) Zn–Zn bond lengths. In the third Zn site, Zn is bonded in a 2-coordinate geometry to one Ce and thirteen Zn atoms. There are one shorter (2.63 Å) and three longer (2.88 Å) Zn–Zn bond lengths. In the fourth Zn site, Zn is bonded to three Ce and nine Zn atoms to form a mixture of distorted corner, edge, and face-sharing ZnCe3Zn9 cuboctahedra. Both Zn–Zn bond lengths are 2.55 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce3Zn by Materials Project

Ce3Zn is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded to eight Ce and four equivalent Zn atoms to form distorted CeCe8Zn4 cuboctahedra that share corners with twelve equivalent CeCe8Zn4 cuboctahedra, edges with eight equivalent ZnCe12 cuboctahedra, edges with sixteen CeCe8Zn4 cuboctahedra, faces with four equivalent ZnCe12 cuboctahedra, and faces with fourteen CeCe8Zn4 cuboctahedra. There are four shorter (3.23 Å) and four longer (3.27 Å) Ce–Ce bond lengths. All Ce–Zn bond lengths are 3.27 Å. In the second Ce site, Ce is bonded to eight equivalent Ce and four equivalent Zn atoms to form distorted CeCe8Zn4 cuboctahedra that share corners with four equivalent CeCe8Zn4 cuboctahedra, corners with eight equivalent ZnCe12 cuboctahedra, edges with twenty-four CeCe8Zn4 cuboctahedra, faces with six equivalent ZnCe12 cuboctahedra, and faces with twelve CeCe8Zn4 cuboctahedra. All Ce–Zn bond lengths are 3.23 Å. Zn is bonded to twelve Ce atoms to form ZnCe12 cuboctahedra that share corners with four equivalent ZnCe12 cuboctahedra, corners with eight equivalent CeCe8Zn4 cuboctahedra, edges with eight equivalent ZnCe12 cuboctahedra, edges with sixteen equivalent CeCe8Zn4 cuboctahedra, faces with four equivalent ZnCe12 cuboctahedra, and faces with fourteen CeCe8Zn4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeZn by Materials Project

CeZn is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ce is bonded in a body-centered cubic geometry to eight equivalent Zn atoms. All Ce–Zn bond lengths are 3.13 Å. Zn is bonded in a body-centered cubic geometry to eight equivalent Ce atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeZn3 by Materials Project

Zn3Ce crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ce is bonded in a 12-coordinate geometry to fourteen Zn atoms. There are a spread of Ce–Zn bond distances ranging from 3.04–3.50 Å. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded in a 10-coordinate geometry to five equivalent Ce and five Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.59–2.79 Å. In the second Zn site, Zn is bonded in a 10-coordinate geometry to five equivalent Ce and five Zn atoms. There are one shorter (2.65 Å) and two longer (2.88 Å) Zn–Zn bond lengths. In the third Zn site, Zn is bonded in a 10-coordinate geometry to four equivalent Ce and six Zn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeZn2 by Materials Project

Zn2Ce crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Ce is bonded in a 12-coordinate geometry to twelve equivalent Zn atoms. There are a spread of Ce–Zn bond distances ranging from 3.08–3.34 Å. Zn is bonded in a 10-coordinate geometry to six equivalent Ce and four equivalent Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.60–2.80 Å.

36 MATERIALS SCIENCE↗