Materials Data on Ca5Sb3 by Materials Project
Ca5Sb3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Ca sites. In the first Ca site, Ca is bonded to six equivalent Sb atoms to form a mixture of distorted edge, face, and corner-sharing CaSb6 octahedra. The corner-sharing octahedral tilt angles are 35°. All Ca–Sb bond lengths are 3.31 Å. In the second Ca site, Ca is bonded in a 3-coordinate geometry to five equivalent Sb atoms. There are a spread of Ca–Sb bond distances ranging from 3.11–3.71 Å. Sb is bonded in a 9-coordinate geometry to nine Ca 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:
- 1188846
- Report Number(s):
- mp-12467
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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