Materials Data on Ce2Mn3Al by Materials Project
Ce2Mn3Al is Hexagonal Laves-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ce is bonded in a 12-coordinate geometry to four equivalent Ce, nine equivalent Mn, and three equivalent Al atoms. There are one shorter (3.03 Å) and three longer (3.33 Å) Ce–Ce bond lengths. There are six shorter (3.09 Å) and three longer (3.11 Å) Ce–Mn bond lengths. All Ce–Al bond lengths are 3.17 Å. Mn is bonded to six equivalent Ce, four equivalent Mn, and two equivalent Al atoms to form MnCe6Mn4Al2 cuboctahedra that share corners with four equivalent AlCe6Mn6 cuboctahedra, corners with fourteen equivalent MnCe6Mn4Al2 cuboctahedra, edges with six equivalent MnCe6Mn4Al2 cuboctahedra, faces with six equivalent AlCe6Mn6 cuboctahedra, and faces with twelve equivalent MnCe6Mn4Al2 cuboctahedra. There are two shorter (2.62 Å) and two longer (2.76 Å) Mn–Mn bond lengths. Both Mn–Al bond lengths are 2.65 Å. Al is bonded to six equivalent Ce and six equivalent Mn atoms to form AlCe6Mn6 cuboctahedra that share corners with twelve equivalent MnCe6Mn4Al2 cuboctahedra, edges with six equivalent AlCe6Mn6 cuboctahedra, faces with two equivalent AlCe6Mn6 cuboctahedra, and faces with eighteen equivalent MnCe6Mn4Al2 cuboctahedra.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1699264
- Report Number(s):
- mp-1226844
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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