Materials Data on Ho3Ni7B2 by Materials Project
Ho3Ni7B2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are four inequivalent Ho sites. In the first Ho site, Ho is bonded in a 12-coordinate geometry to one Ho and twelve Ni atoms. The Ho–Ho bond length is 3.10 Å. There are a spread of Ho–Ni bond distances ranging from 2.93–3.01 Å. In the second Ho site, Ho is bonded in a 12-coordinate geometry to one Ho and twelve Ni atoms. The Ho–Ho bond length is 3.10 Å. There are a spread of Ho–Ni bond distances ranging from 2.93–3.01 Å. In the third Ho site, Ho is bonded in a 12-coordinate geometry to one Ho and twelve Ni atoms. The Ho–Ho bond length is 3.10 Å. There are a spread of Ho–Ni bond distances ranging from 2.93–3.01 Å. In the fourth Ho site, Ho is bonded in a 12-coordinate geometry to two Ho, twelve equivalent Ni, and six B atoms. All Ho–Ni bond lengths are 2.89 Å. All Ho–B bond lengths are 2.90 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a distorted L-shaped geometry to five Ho, one Ni, and two B atoms. The Ni–Ni bond length is 2.56 Å. There are one shorter (2.03 Å) and one longer (2.05 Å) Ni–B bond lengths. In the second Ni site, Ni is bonded to six Ho and six equivalent Ni atoms to form edge-sharing NiHo6Ni6 cuboctahedra. There are two inequivalent B sites. In the first B site, B is bonded in a 6-coordinate geometry to three equivalent Ho and six equivalent Ni atoms. In the second B site, B is bonded in a 6-coordinate geometry to three equivalent Ho and six equivalent Ni atoms.
- 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:
- 1664280
- Report Number(s):
- mp-1192069
- Country of Publication:
- United States
- Language:
- English
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