Materials Data on Ce10Ga5Br4 by Materials Project
Ce10Ga5Br4 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are three inequivalent Ce sites. In the first Ce site, Ce is bonded in a 5-coordinate geometry to five Ga atoms. There are a spread of Ce–Ga bond distances ranging from 3.14–3.27 Å. In the second Ce site, Ce is bonded in a 8-coordinate geometry to three equivalent Ga and five Br atoms. There are one shorter (3.07 Å) and two longer (3.08 Å) Ce–Ga bond lengths. There are a spread of Ce–Br bond distances ranging from 3.00–3.38 Å. In the third Ce site, Ce is bonded in a 6-coordinate geometry to five Ga and one Br atom. There are one shorter (3.00 Å) and four longer (3.19 Å) Ce–Ga bond lengths. The Ce–Br bond length is 3.07 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to eight Ce and one Ga atom. The Ga–Ga bond length is 2.80 Å. In the second Ga site, Ga is bonded in a distorted q6 geometry to ten Ce atoms. There are two inequivalent Br sites. In the first Br site, Br is bonded to five Ce atoms to form corner-sharing BrCe5 square pyramids. In the second Br site, Br is bonded in a 6-coordinate geometry to six equivalent Ce 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:
- 1276260
- Report Number(s):
- mp-571439
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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