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All sourcesNASA NTRSDOE OSTI
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.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeMg14Fe by Materials Project

Mg14CeFe crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are ten inequivalent Mg sites. In the first Mg site, Mg is bonded to ten Mg and two equivalent Fe atoms to form distorted MgMg10Fe2 cuboctahedra that share corners with four equivalent CeMg12 cuboctahedra, corners with fourteen MgMg10Fe2 cuboctahedra, edges with two equivalent FeMg12 cuboctahedra, edges with eight MgMg10Fe2 cuboctahedra, faces with two equivalent FeMg12 cuboctahedra, and faces with eight MgCe2Mg10 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.03–3.31 Å. Both Mg–Fe bond lengths are 3.21 Å. In the second Mg site, Mg is bonded to ten Mg and two equivalent Ce atoms to form distorted MgCe2Mg10 cuboctahedra that share corners with four equivalent FeMg12 cuboctahedra, corners with fourteen MgCe2Mg10 cuboctahedra, edges with two equivalent CeMg12 cuboctahedra, edges with eight MgCe2Mg10 cuboctahedra, faces with two equivalent CeMg12 cuboctahedra, and faces with eight MgMg10Fe2 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.07–3.38 Å. Both Mg–Ce bond lengths are 3.21 Å. In the third Mg site, Mg is bonded to ten Mg and two equivalent Fe atoms to form distorted MgMg10Fe2 cuboctahedra that share corners with four equivalent CeMg12 cuboctahedra, corners with fourteen MgCe2Mg10 cuboctahedra, edges with two equivalent FeMg12 cuboctahedra, edges with eight MgMg10Fe2 cuboctahedra, faces with two equivalent FeMg12 cuboctahedra, and faces with eight MgMg10Fe2 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.03–3.29 Å. Both Mg–Fe bond lengths are 3.22 Å. In the fourth Mg site, Mg is bonded to ten Mg and two equivalent Ce atoms to form distorted MgCe2Mg10 cuboctahedra that share corners with four equivalent FeMg12 cuboctahedra, corners with fourteen MgMg10Fe2 cuboctahedra, edges with two equivalent CeMg12 cuboctahedra, edges with eight MgCe2Mg10 cuboctahedra, faces with two equivalent CeMg12 cuboctahedra, and faces with eight MgCe2Mg10 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.07–3.35 Å. Both Mg–Ce bond lengths are 3.22 Å. In the fifth Mg site, Mg is bonded to ten Mg and two equivalent Fe atoms to form distorted MgMg10Fe2 cuboctahedra that share corners with four equivalent CeMg12 cuboctahedra, corners with fourteen MgCe2Mg10 cuboctahedra, edges with two equivalent FeMg12 cuboctahedra, edges with eight MgMg10Fe2 cuboctahedra, faces with two equivalent FeMg12 cuboctahedra, and faces with eight MgMg10Fe2 cuboctahedra. There are four shorter (3.03 Å) and two longer (3.27 Å) Mg–Mg bond lengths. Both Mg–Fe bond lengths are 3.23 Å. In the sixth Mg site, Mg is bonded to ten Mg and two equivalent Ce atoms to form distorted MgCe2Mg10 cuboctahedra that share corners with four equivalent FeMg12 cuboctahedra, corners with fourteen MgMg10Fe2 cuboctahedra, edges with two equivalent CeMg12 cuboctahedra, edges with eight MgCe2Mg10 cuboctahedra, faces with two equivalent CeMg12 cuboctahedra, and faces with eight MgCe2Mg10 cuboctahedra. There are two shorter (3.11 Å) and four longer (3.35 Å) Mg–Mg bond lengths. Both Mg–Ce bond lengths are 3.23 Å. In the seventh Mg site, Mg is bonded in a 12-coordinate geometry to ten Mg, one Ce, and one Fe atom. There are a spread of Mg–Mg bond distances ranging from 3.11–3.32 Å. The Mg–Ce bond length is 3.32 Å. The Mg–Fe bond length is 2.97 Å. In the eighth Mg site, Mg is bonded in a 12-coordinate geometry to ten Mg, one Ce, and one Fe atom. There are a spread of Mg–Mg bond distances ranging from 3.12–3.33 Å. The Mg–Ce bond length is 3.32 Å. The Mg–Fe bond length is 2.96 Å. In the ninth Mg site, Mg is bonded in a 12-coordinate geometry to ten Mg, one Ce, and one Fe atom. Both Mg–Mg bond lengths are 3.23 Å. The Mg–Ce bond length is 3.32 Å. The Mg–Fe bond length is 2.96 Å. In the tenth Mg site, Mg is bonded to twelve Mg atoms to form distorted MgMg12 cuboctahedra that share corners with six equivalent MgMg12 cuboctahedra, edges with twelve MgMg10Fe2 cuboctahedra, faces with three equivalent CeMg12 cuboctahedra, faces with three equivalent FeMg12 cuboctahedra, and faces with eight MgMg10Fe2 cuboctahedra. Ce is bonded to twelve Mg atoms to form CeMg12 cuboctahedra that share corners with six equivalent CeMg12 cuboctahedra, corners with twelve MgMg10Fe2 cuboctahedra, edges with six MgCe2Mg10 cuboctahedra, faces with two equivalent FeMg12 cuboctahedra, and faces with twelve MgCe2Mg10 cuboctahedra. Fe is bonded to twelve Mg atoms to form FeMg12 cuboctahedra that share corners with six equivalent FeMg12 cuboctahedra, corners with twelve MgCe2Mg10 cuboctahedra, edges with six MgMg10Fe2 cuboctahedra, faces with two equivalent CeMg12 cuboctahedra, and faces with twelve MgMg10Fe2 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeMg14Si by Materials Project

Mg14CeSi crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are six 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 SiMg12 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 3.11–3.26 Å. Both Mg–Ce bond lengths are 3.18 Å. In the second Mg site, Mg is bonded to ten Mg and two equivalent Si atoms to form distorted MgMg10Si2 cuboctahedra that share corners with four equivalent CeMg12 cuboctahedra, corners with fourteen MgCe2Mg10 cuboctahedra, edges with two equivalent SiMg12 cuboctahedra, edges with sixteen MgMg10Si2 cuboctahedra, faces with two equivalent SiMg12 cuboctahedra, and faces with eighteen MgCe2Mg10 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.14–3.23 Å. Both Mg–Si bond lengths are 3.18 Å. In the third Mg site, Mg is bonded to ten Mg and two equivalent Ce atoms to form MgCe2Mg10 cuboctahedra that share corners with four equivalent SiMg12 cuboctahedra, corners with fourteen MgMg10Si2 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 two shorter (3.16 Å) and four longer (3.23 Å) Mg–Mg bond lengths. Both Mg–Ce bond lengths are 3.18 Å. In the fourth Mg site, Mg is bonded to ten Mg, one Ce, and one Si atom to form distorted MgCeMg10Si cuboctahedra that share corners with eighteen MgCeMg10Si cuboctahedra, edges with two equivalent CeMg12 cuboctahedra, edges with two equivalent SiMg12 cuboctahedra, edges with fourteen MgCe2Mg10 cuboctahedra, a faceface with one CeMg12 cuboctahedra, a faceface with one SiMg12 cuboctahedra, and faces with eighteen MgCe2Mg10 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.15–3.22 Å. The Mg–Ce bond length is 3.23 Å. The Mg–Si bond length is 3.12 Å. In the fifth Mg site, Mg is bonded to ten Mg, one Ce, and one Si atom to form distorted MgCeMg10Si cuboctahedra that share corners with eighteen MgCeMg10Si cuboctahedra, edges with two equivalent CeMg12 cuboctahedra, edges with two equivalent SiMg12 cuboctahedra, edges with fourteen MgCe2Mg10 cuboctahedra, a faceface with one CeMg12 cuboctahedra, a faceface with one SiMg12 cuboctahedra, and faces with eighteen MgCe2Mg10 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.15–3.22 Å. The Mg–Ce bond length is 3.23 Å. The Mg–Si bond length is 3.12 Å. In the sixth Mg site, Mg is bonded to twelve Mg atoms to form MgMg12 cuboctahedra that share corners with eighteen MgCeMg10Si cuboctahedra, edges with eighteen MgCe2Mg10 cuboctahedra, faces with three equivalent CeMg12 cuboctahedra, faces with three equivalent SiMg12 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 MgMg10Si2 cuboctahedra, edges with eighteen MgCe2Mg10 cuboctahedra, faces with two equivalent SiMg12 cuboctahedra, and faces with eighteen MgCe2Mg10 cuboctahedra. Si is bonded to twelve Mg atoms to form SiMg12 cuboctahedra that share corners with six equivalent SiMg12 cuboctahedra, corners with twelve MgCe2Mg10 cuboctahedra, edges with eighteen MgCeMg10Si cuboctahedra, faces with two equivalent CeMg12 cuboctahedra, and faces with eighteen MgMg10Si2 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

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.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeMg3 by Materials Project

Mg3Ce is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to eight Mg and four equivalent Ce atoms to form distorted MgCe4Mg8 cuboctahedra that share corners with four equivalent CeMg12 cuboctahedra, corners with fourteen MgCe4Mg8 cuboctahedra, edges with six equivalent CeMg12 cuboctahedra, edges with twelve MgCe4Mg8 cuboctahedra, faces with four equivalent CeMg12 cuboctahedra, and faces with sixteen MgCe4Mg8 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.23–3.47 Å. There are two shorter (3.28 Å) and two longer (3.41 Å) Mg–Ce bond lengths. In the second Mg site, Mg is bonded to eight Mg and four equivalent Ce atoms to form distorted MgCe4Mg8 cuboctahedra that share corners with four equivalent CeMg12 cuboctahedra, corners with fourteen MgCe4Mg8 cuboctahedra, edges with six equivalent CeMg12 cuboctahedra, edges with twelve MgCe4Mg8 cuboctahedra, faces with four equivalent CeMg12 cuboctahedra, and faces with sixteen MgCe4Mg8 cuboctahedra. Both Mg–Mg bond lengths are 3.23 Å. There are two shorter (3.28 Å) and two longer (3.41 Å) Mg–Ce bond lengths. Ce is bonded to twelve Mg atoms to form CeMg12 cuboctahedra that share corners with six equivalent CeMg12 cuboctahedra, corners with twelve MgCe4Mg8 cuboctahedra, edges with eighteen MgCe4Mg8 cuboctahedra, faces with eight equivalent CeMg12 cuboctahedra, and faces with twelve MgCe4Mg8 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeMg14Co by Materials Project

Mg14CeCo crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded to ten Mg and two equivalent Co atoms to form distorted MgMg10Co2 cuboctahedra that share corners with four equivalent CeMg12 cuboctahedra, corners with fourteen MgMg10Co2 cuboctahedra, edges with two equivalent CoMg12 cuboctahedra, edges with eight MgMg10Co2 cuboctahedra, faces with two equivalent CoMg12 cuboctahedra, and faces with eight MgMg10Co2 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.02–3.24 Å. Both Mg–Co bond lengths are 3.22 Å. In the second Mg site, Mg is bonded to ten Mg and two equivalent Ce atoms to form distorted MgCe2Mg10 cuboctahedra that share corners with four equivalent CoMg12 cuboctahedra, corners with fourteen MgMg10Co2 cuboctahedra, edges with two equivalent CeMg12 cuboctahedra, edges with eight MgCe2Mg10 cuboctahedra, faces with two equivalent CeMg12 cuboctahedra, and faces with eight MgMg10Co2 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.10–3.33 Å. Both Mg–Ce bond lengths are 3.22 Å. In the third Mg site, Mg is bonded in a 12-coordinate geometry to ten Mg, one Ce, and one Co atom. There are a spread of Mg–Mg bond distances ranging from 3.16–3.27 Å. The Mg–Ce bond length is 3.24 Å. The Mg–Co bond length is 2.98 Å. In the fourth Mg site, Mg is bonded to twelve Mg atoms to form MgMg12 cuboctahedra that share corners with six equivalent MgMg12 cuboctahedra, edges with twelve MgMg10Co2 cuboctahedra, faces with three equivalent CeMg12 cuboctahedra, faces with three equivalent CoMg12 cuboctahedra, and faces with eight MgMg10Co2 cuboctahedra. Ce is bonded to twelve Mg atoms to form CeMg12 cuboctahedra that share corners with six equivalent CeMg12 cuboctahedra, corners with twelve equivalent MgMg10Co2 cuboctahedra, edges with six equivalent MgCe2Mg10 cuboctahedra, faces with two equivalent CoMg12 cuboctahedra, and faces with twelve MgCe2Mg10 cuboctahedra. Co is bonded to twelve Mg atoms to form CoMg12 cuboctahedra that share corners with six equivalent CoMg12 cuboctahedra, corners with twelve equivalent MgCe2Mg10 cuboctahedra, edges with six equivalent MgMg10Co2 cuboctahedra, faces with two equivalent CeMg12 cuboctahedra, and faces with twelve MgMg10Co2 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeMg14Cu by Materials Project

Mg14CeCu crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded to ten Mg and two equivalent Cu atoms to form distorted MgMg10Cu2 cuboctahedra that share corners with four equivalent CeMg12 cuboctahedra, corners with fourteen MgMg10Cu2 cuboctahedra, edges with two equivalent CuMg12 cuboctahedra, edges with eight MgMg10Cu2 cuboctahedra, faces with two equivalent CuMg12 cuboctahedra, and faces with eight MgMg10Cu2 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.05–3.26 Å. Both Mg–Cu bond lengths are 3.23 Å. In the second Mg site, Mg is bonded to ten Mg and two equivalent Ce atoms to form distorted MgCe2Mg10 cuboctahedra that share corners with four equivalent CuMg12 cuboctahedra, corners with fourteen MgMg10Cu2 cuboctahedra, edges with two equivalent CeMg12 cuboctahedra, edges with eight MgCe2Mg10 cuboctahedra, faces with two equivalent CeMg12 cuboctahedra, and faces with eight MgMg10Cu2 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.10–3.36 Å. Both Mg–Ce bond lengths are 3.23 Å. In the third Mg site, Mg is bonded in a 12-coordinate geometry to ten Mg, one Ce, and one Cu atom. There are a spread of Mg–Mg bond distances ranging from 3.18–3.29 Å. The Mg–Ce bond length is 3.22 Å. The Mg–Cu bond length is 3.01 Å. In the fourth Mg site, Mg is bonded to twelve Mg atoms to form MgMg12 cuboctahedra that share corners with six equivalent MgMg12 cuboctahedra, edges with twelve MgMg10Cu2 cuboctahedra, faces with three equivalent CeMg12 cuboctahedra, faces with three equivalent CuMg12 cuboctahedra, and faces with eight MgMg10Cu2 cuboctahedra. Ce is bonded to twelve Mg atoms to form CeMg12 cuboctahedra that share corners with six equivalent CeMg12 cuboctahedra, corners with twelve equivalent MgMg10Cu2 cuboctahedra, edges with six equivalent MgCe2Mg10 cuboctahedra, faces with two equivalent CuMg12 cuboctahedra, and faces with twelve MgCe2Mg10 cuboctahedra. Cu is bonded to twelve Mg atoms to form CuMg12 cuboctahedra that share corners with six equivalent CuMg12 cuboctahedra, corners with twelve equivalent MgCe2Mg10 cuboctahedra, edges with six equivalent MgMg10Cu2 cuboctahedra, faces with two equivalent CeMg12 cuboctahedra, and faces with twelve MgMg10Cu2 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeMg5 by Materials Project

Mg5Ce crystallizes in the trigonal R32 space group. The structure is three-dimensional. there are two 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 eighteen equivalent MgCe2Mg10 cuboctahedra, edges with four equivalent CeMg12 cuboctahedra, edges with fourteen MgCe2Mg10 cuboctahedra, faces with four equivalent CeMg12 cuboctahedra, and faces with sixteen MgCe2Mg10 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.23–3.32 Å. Both Mg–Ce bond lengths are 3.32 Å. In the second Mg site, Mg is bonded to nine Mg and three equivalent Ce atoms to form MgCe3Mg9 cuboctahedra that share corners with six equivalent CeMg12 cuboctahedra, corners with twelve equivalent MgCe3Mg9 cuboctahedra, edges with eighteen MgCe2Mg10 cuboctahedra, faces with four equivalent CeMg12 cuboctahedra, and faces with sixteen MgCe2Mg10 cuboctahedra. All Mg–Mg bond lengths are 3.24 Å. All Mg–Ce bond lengths are 3.24 Å. Ce is bonded to twelve Mg atoms to form CeMg12 cuboctahedra that share corners with six equivalent CeMg12 cuboctahedra, corners with twelve equivalent MgCe3Mg9 cuboctahedra, edges with six equivalent CeMg12 cuboctahedra, edges with twelve equivalent MgCe2Mg10 cuboctahedra, and faces with twenty MgCe2Mg10 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeMg3 by Materials Project

Mg3Ce is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mg is bonded to eight equivalent Mg and four equivalent Ce atoms to form MgCe4Mg8 cuboctahedra that share corners with twelve equivalent MgCe4Mg8 cuboctahedra, edges with eight equivalent CeMg12 cuboctahedra, edges with sixteen equivalent MgCe4Mg8 cuboctahedra, faces with four equivalent CeMg12 cuboctahedra, and faces with fourteen equivalent MgCe4Mg8 cuboctahedra. All Mg–Mg bond lengths are 3.38 Å. All Mg–Ce bond lengths are 3.38 Å. Ce is bonded to twelve equivalent Mg atoms to form CeMg12 cuboctahedra that share corners with twelve equivalent CeMg12 cuboctahedra, edges with twenty-four equivalent MgCe4Mg8 cuboctahedra, faces with six equivalent CeMg12 cuboctahedra, and faces with twelve equivalent MgCe4Mg8 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeMg5 by Materials Project

Mg5Ce crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to eight Mg and two equivalent Ce atoms. There are four shorter (3.26 Å) and four longer (3.27 Å) Mg–Mg bond lengths. Both Mg–Ce bond lengths are 3.37 Å. In the second Mg site, Mg is bonded to nine Mg and three equivalent Ce atoms to form MgCe3Mg9 cuboctahedra that share corners with nine equivalent MgCe3Mg9 cuboctahedra, corners with nine equivalent CeMg12 cuboctahedra, edges with six equivalent MgCe3Mg9 cuboctahedra, faces with three equivalent CeMg12 cuboctahedra, and faces with five equivalent MgCe3Mg9 cuboctahedra. All Mg–Mg bond lengths are 3.35 Å. All Mg–Ce bond lengths are 3.35 Å. Ce is bonded to twelve Mg atoms to form CeMg12 cuboctahedra that share corners with eighteen equivalent MgCe3Mg9 cuboctahedra, edges with six equivalent CeMg12 cuboctahedra, faces with two equivalent CeMg12 cuboctahedra, and faces with six equivalent MgCe3Mg9 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on KCeMg14 by Materials Project

KMg14Ce crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. K is bonded to twelve Mg atoms to form KMg12 cuboctahedra that share corners with six equivalent KMg12 cuboctahedra, faces with two equivalent CeMg12 cuboctahedra, and faces with six equivalent MgMg12 cuboctahedra. There are six shorter (3.49 Å) and six longer (3.56 Å) K–Mg bond lengths. There are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a distorted linear geometry to two equivalent K and two equivalent Mg atoms. Both Mg–Mg bond lengths are 3.45 Å. In the second Mg site, Mg is bonded in a 12-coordinate geometry to eight Mg and two equivalent Ce atoms. There are a spread of Mg–Mg bond distances ranging from 3.32–3.48 Å. Both Mg–Ce bond lengths are 3.56 Å. In the third Mg site, Mg is bonded in a 2-coordinate geometry to one K, four Mg, and one Ce atom. Both Mg–Mg bond lengths are 3.56 Å. The Mg–Ce bond length is 3.35 Å. In the fourth Mg site, Mg is bonded to twelve Mg atoms to form distorted MgMg12 cuboctahedra that share corners with six equivalent MgMg12 cuboctahedra, faces with two equivalent MgMg12 cuboctahedra, faces with three equivalent KMg12 cuboctahedra, and faces with three equivalent CeMg12 cuboctahedra. Ce is bonded to twelve Mg atoms to form CeMg12 cuboctahedra that share corners with six equivalent CeMg12 cuboctahedra, faces with two equivalent KMg12 cuboctahedra, and faces with six equivalent MgMg12 cuboctahedra.

36 MATERIALS SCIENCE↗
NASA NTRS1980

Use of reversible hydrides for hydrogen storage

The addition of metals or alloys whose hydrides have a high dissociation pressure allows a considerable increase in the hydrogenation rate of magnesium. The influence of temperature and hydrogen pressure on the reaction rate were studied. Results concerning the hydriding of magnesium rich alloys such as Mg2Ca, La2Mg17 and CeMg12 are presented. The hydriding mechanism of La2Mg17 and CeMg12 alloys is given.

Darriet, B.↗