Materials Data on DyNi4Sn by Materials Project
DyNi4Sn crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded in a distorted hexagonal planar geometry to eighteen Ni atoms. There are six shorter (2.74 Å) and twelve longer (3.25 Å) Dy–Ni bond lengths. In the second Dy site, Dy is bonded in a 6-coordinate geometry to twelve Ni and six equivalent Sn atoms. There are six shorter (3.14 Å) and six longer (3.20 Å) Dy–Ni bond lengths. All Dy–Sn bond lengths are 3.27 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 11-coordinate geometry to three Dy, six Ni, and two equivalent Sn atoms. There are four shorter (2.44 Å) and two longer (2.74 Å) Ni–Ni bond lengths. Both Ni–Sn bond lengths are 2.49 Å. In the second Ni site, Ni is bonded to four Dy, six Ni, and two equivalent Sn atoms to form distorted NiDy4Ni6Sn2 cuboctahedra that share corners with four equivalent SnDy4Ni8 cuboctahedra, corners with fourteen equivalent NiDy4Ni6Sn2 cuboctahedra, edges with five equivalent NiDy4Ni6Sn2 cuboctahedra, faces with six equivalent SnDy4Ni8 cuboctahedra, and faces with seven equivalent NiDy4Ni6Sn2 cuboctahedra. Both Ni–Ni bond lengths are 2.55 Å. Both Ni–Sn bond lengths are 2.78 Å. Sn is bonded to four equivalent Dy and eight Ni atoms to form SnDy4Ni8 cuboctahedra that share corners with eight equivalent NiDy4Ni6Sn2 cuboctahedra, corners with eight equivalent SnDy4Ni8 cuboctahedra, faces with six equivalent SnDy4Ni8 cuboctahedra, and faces with twelve equivalent NiDy4Ni6Sn2 cuboctahedra.
- 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:
- 1730881
- Report Number(s):
- mp-1213139
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on Dy2(GaNi)5 by Materials Project
Materials Data on Dy(GaFe)6 by Materials Project