Materials Data on YHo3C8 by Materials Project
Ho3YC8 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Ho3+ sites. In the first Ho3+ site, Ho3+ is bonded in a distorted q4 geometry to ten C+1.50- atoms. There are a spread of Ho–C bond distances ranging from 2.44–2.68 Å. In the second Ho3+ site, Ho3+ is bonded in a distorted q4 geometry to ten C+1.50- atoms. There are two shorter (2.43 Å) and eight longer (2.67 Å) Ho–C bond lengths. Y3+ is bonded in a distorted q4 geometry to ten C+1.50- atoms. There are two shorter (2.44 Å) and eight longer (2.67 Å) Y–C bond lengths. There are four inequivalent C+1.50- sites. In the first C+1.50- site, C+1.50- is bonded in a 6-coordinate geometry to four equivalent Ho3+, one Y3+, and one C+1.50- atom. The C–C bond length is 1.31 Å. In the second C+1.50- site, C+1.50- is bonded in a 2-coordinate geometry to five Ho3+ and one C+1.50- atom. The C–C bond length is 1.30 Å. In the third C+1.50- site, C+1.50- is bonded in a 2-coordinate geometry to five Ho3+ and one C+1.50- atom. In the fourth C+1.50- site, C+1.50- is bonded in a 6-coordinate geometry to one Ho3+, four equivalent Y3+, and one C+1.50- atom. The C–C bond length is 1.30 Å.
- 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:
- 1709301
- Report Number(s):
- mp-1215940
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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