Materials Data on Ho4NiSn8 by Materials Project
Ho4NiSn8 crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. there are four inequivalent Ho sites. In the first Ho site, Ho is bonded in a 10-coordinate geometry to ten Sn atoms. There are a spread of Ho–Sn bond distances ranging from 3.17–3.51 Å. In the second Ho site, Ho is bonded in a 10-coordinate geometry to ten Sn atoms. There are a spread of Ho–Sn bond distances ranging from 3.14–3.37 Å. In the third Ho site, Ho is bonded in a 4-coordinate geometry to four equivalent Ni and ten Sn atoms. All Ho–Ni bond lengths are 3.44 Å. There are a spread of Ho–Sn bond distances ranging from 3.26–3.70 Å. In the fourth Ho site, Ho is bonded in a 10-coordinate geometry to ten Sn atoms. There are a spread of Ho–Sn bond distances ranging from 3.16–3.46 Å. Ni is bonded in a 9-coordinate geometry to four equivalent Ho and five Sn atoms. There are one shorter (2.47 Å) and four longer (2.53 Å) Ni–Sn bond lengths. There are eight inequivalent Sn sites. In the first Sn site, Sn is bonded in a 9-coordinate geometry to six Ho, one Ni, and two equivalent Sn atoms. Both Sn–Sn bond lengths are 2.96 Å. In the second Sn site, Sn is bonded in a 4-coordinate geometry to six Ho and two equivalent Sn atoms. Both Sn–Sn bond lengths are 3.02 Å. In the third Sn site, Sn is bonded in a 4-coordinate geometry to six Ho and two equivalent Sn atoms. In the fourth Sn site, Sn is bonded in a 4-coordinate geometry to six Ho and two equivalent Sn atoms. In the fifth Sn site, Sn is bonded in a 4-coordinate geometry to four Ho, two equivalent Ni, and four equivalent Sn atoms. All Sn–Sn bond lengths are 3.11 Å. In the sixth Sn site, Sn is bonded in a 8-coordinate geometry to four Ho and four equivalent Sn atoms. All Sn–Sn bond lengths are 3.11 Å. In the seventh Sn site, Sn is bonded in a 4-coordinate geometry to four Ho, two equivalent Ni, and four equivalent Sn atoms. In the eighth Sn site, Sn is bonded in a 8-coordinate geometry to four Ho and four equivalent Sn 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:
- 1696648
- Report Number(s):
- mp-1224552
- Country of Publication:
- United States
- Language:
- English
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