Materials Data on Ce3Sb3Au2 by Materials Project
Ce3Au2Sb3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Ce3+ sites. In the first Ce3+ site, Ce3+ is bonded to six Sb3- atoms to form a mixture of corner and edge-sharing CeSb6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are three shorter (3.22 Å) and three longer (3.27 Å) Ce–Sb bond lengths. In the second Ce3+ site, Ce3+ is bonded in a 12-coordinate geometry to six equivalent Au and six equivalent Sb3- atoms. All Ce–Au bond lengths are 3.08 Å. All Ce–Sb bond lengths are 3.54 Å. Au is bonded in a 6-coordinate geometry to three equivalent Ce3+ and three equivalent Sb3- atoms. All Au–Sb bond lengths are 2.81 Å. There are two inequivalent Sb3- sites. In the first Sb3- site, Sb3- is bonded in a 6-coordinate geometry to six Ce3+ and three equivalent Au atoms. In the second Sb3- site, Sb3- is bonded to six equivalent Ce3+ atoms to form edge-sharing SbCe6 octahedra.
- 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:
- 1275383
- Report Number(s):
- mp-569941
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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