Materials Data on Ho5Si3B by Materials Project
Ho5BSi3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Ho3+ sites. In the first Ho3+ site, Ho3+ is bonded in a 7-coordinate geometry to two equivalent B3- and five equivalent Si4- atoms. Both Ho–B bond lengths are 2.58 Å. There are a spread of Ho–Si bond distances ranging from 2.96–3.43 Å. In the second Ho3+ site, Ho3+ is bonded to six equivalent Si4- atoms to form a mixture of distorted corner, edge, and face-sharing HoSi6 octahedra. The corner-sharing octahedral tilt angles are 33°. All Ho–Si bond lengths are 3.04 Å. B3- is bonded to six equivalent Ho3+ atoms to form face-sharing BHo6 octahedra. Si4- is bonded in a 9-coordinate geometry to nine Ho3+ 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:
- 1189473
- Report Number(s):
- mp-13235
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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