Materials Data on Dy2Ni7 by Materials Project
Dy2Ni7 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are four inequivalent Dy sites. In the first Dy site, Dy is bonded in a 6-coordinate geometry to eighteen Ni atoms. There are a spread of Dy–Ni bond distances ranging from 2.84–3.25 Å. In the second Dy site, Dy is bonded in a 12-coordinate geometry to twelve Ni atoms. There are a spread of Dy–Ni bond distances ranging from 2.81–3.10 Å. In the third Dy site, Dy is bonded in a 6-coordinate geometry to eighteen Ni atoms. There are a spread of Dy–Ni bond distances ranging from 2.84–3.25 Å. In the fourth Dy site, Dy is bonded in a 6-coordinate geometry to eighteen Ni atoms. There are a spread of Dy–Ni bond distances ranging from 2.84–3.25 Å. There are eight inequivalent Ni sites. In the first Ni site, Ni is bonded to six equivalent Dy and six equivalent Ni atoms to form NiDy6Ni6 cuboctahedra that share corners with twelve equivalent NiDy5Ni7 cuboctahedra, edges with six equivalent NiDy6Ni6 cuboctahedra, and faces with eighteen equivalent NiDy5Ni7 cuboctahedra. All Ni–Ni bond lengths are 2.50 Å. In the second Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Dy and six Ni atoms. There are three shorter (2.42 Å) and three longer (2.44 Å) Ni–Ni bond lengths. In the third Ni site, Ni is bonded to four equivalent Dy and eight Ni atoms to form NiDy4Ni8 cuboctahedra that share corners with sixteen NiDy5Ni7 cuboctahedra, edges with ten NiDy4Ni8 cuboctahedra, and faces with ten NiDy4Ni8 cuboctahedra. All Ni–Dy bond lengths are 3.06 Å. There are two shorter (2.44 Å) and four longer (2.46 Å) Ni–Ni bond lengths. In the fourth Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Dy and six Ni atoms. There are three shorter (2.43 Å) and three longer (2.44 Å) Ni–Ni bond lengths. In the fifth Ni site, Ni is bonded to four Dy and eight Ni atoms to form a mixture of edge, corner, and face-sharing NiDy4Ni8 cuboctahedra. There are two shorter (2.44 Å) and four longer (2.46 Å) Ni–Ni bond lengths. In the sixth Ni site, Ni is bonded to four Dy and eight Ni atoms to form a mixture of edge, corner, and face-sharing NiDy4Ni8 cuboctahedra. There are two shorter (2.44 Å) and two longer (2.46 Å) Ni–Ni bond lengths. In the seventh Ni site, Ni is bonded to four Dy and eight Ni atoms to form a mixture of edge, corner, and face-sharing NiDy4Ni8 cuboctahedra. Both Ni–Ni bond lengths are 2.44 Å. In the eighth Ni site, Ni is bonded to five Dy and seven Ni atoms to form distorted NiDy5Ni7 cuboctahedra that share corners with seventeen NiDy6Ni6 cuboctahedra, edges with eight NiDy4Ni8 cuboctahedra, and faces with fourteen NiDy6Ni6 cuboctahedra. There are two shorter (2.45 Å) and two longer (2.47 Å) Ni–Ni bond lengths.
- 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:
- 1310509
- Report Number(s):
- mp-865205
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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