Materials Data on Ce2(Ni7B2)3 by Materials Project
Ce2Ni21B6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ce is bonded to sixteen Ni atoms to form distorted CeNi16 tetrahedra that share edges with six equivalent CeNi16 tetrahedra and faces with four equivalent NiNi12 cuboctahedra. There are four shorter (2.53 Å) and twelve longer (2.94 Å) Ce–Ni bond lengths. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded to twelve equivalent Ni atoms to form NiNi12 cuboctahedra that share faces with eight equivalent CeNi16 tetrahedra. All Ni–Ni bond lengths are 2.55 Å. In the second Ni site, Ni is bonded to one Ce and three equivalent B atoms to form a mixture of distorted corner and edge-sharing NiCeB3 tetrahedra. All Ni–B bond lengths are 2.13 Å. In the third Ni site, Ni is bonded in a distorted bent 150 degrees geometry to two equivalent Ce, one Ni, and two equivalent B atoms. Both Ni–B bond lengths are 2.09 Å. B is bonded in a 8-coordinate geometry to eight Ni atoms.
- 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:
- 1266270
- Report Number(s):
- mp-541851
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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