Materials Data on HoNiB4 by Materials Project
HoNiB4 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ho3+ sites. In the first Ho3+ site, Ho3+ is bonded in a 4-coordinate geometry to sixteen B+1.50- atoms. There are a spread of Ho–B bond distances ranging from 2.77–2.86 Å. In the second Ho3+ site, Ho3+ is bonded in a 8-coordinate geometry to sixteen B+1.50- atoms. There are eight shorter (2.79 Å) and eight longer (2.84 Å) Ho–B bond lengths. Ni3+ is bonded in a 6-coordinate geometry to six B+1.50- atoms. There are two shorter (2.07 Å) and four longer (2.18 Å) Ni–B bond lengths. There are two inequivalent B+1.50- sites. In the first B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four Ho3+, one Ni3+, and four B+1.50- atoms. There are a spread of B–B bond distances ranging from 1.68–1.75 Å. In the second B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four Ho3+, two equivalent Ni3+, and three B+1.50- atoms. The B–B bond length is 1.69 Å.
- Research Organization:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Contributing Organization:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231
- OSTI ID:
- 1727868
- Report Number(s):
- mp-1192149
- Country of Publication:
- United States
- Language:
- English
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