Materials Data on Ho5Ni2Bi by Materials Project
Ho5Ni2Bi crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded to four equivalent Ni and two equivalent Bi atoms to form distorted HoNi4Bi2 octahedra that share corners with six equivalent HoNi4Bi2 octahedra, corners with sixteen equivalent HoNi3Bi2 trigonal bipyramids, and faces with eight equivalent HoNi3Bi2 trigonal bipyramids. The corner-sharing octahedra tilt angles range from 0–51°. All Ho–Ni bond lengths are 3.00 Å. Both Ho–Bi bond lengths are 3.37 Å. In the second Ho site, Ho is bonded to three equivalent Ni and two equivalent Bi atoms to form distorted HoNi3Bi2 trigonal bipyramids that share corners with four equivalent HoNi4Bi2 octahedra, corners with twelve equivalent HoNi3Bi2 trigonal bipyramids, edges with seven equivalent HoNi3Bi2 trigonal bipyramids, faces with two equivalent HoNi4Bi2 octahedra, and a faceface with one HoNi3Bi2 trigonal bipyramid. The corner-sharing octahedra tilt angles range from 42–62°. There are two shorter (2.86 Å) and one longer (2.94 Å) Ho–Ni bond lengths. Both Ho–Bi bond lengths are 3.29 Å. Ni is bonded in a 8-coordinate geometry to eight Ho atoms. Bi is bonded in a distorted q6 geometry to ten Ho atoms.
- 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:
- 1675503
- Report Number(s):
- mp-1189131
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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