Materials Data on HoMnNi2 by Materials Project
HoMnNi2 is Frank-Kasper $$\mu$$ Phase-derived structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are three inequivalent Ho sites. In the first Ho site, Ho is bonded in a 9-coordinate geometry to six Mn and nine Ni atoms. There are three shorter (2.97 Å) and three longer (3.01 Å) Ho–Mn bond lengths. There are three shorter (2.79 Å) and six longer (3.03 Å) Ho–Ni bond lengths. In the second Ho site, Ho is bonded in a 6-coordinate geometry to four Mn and nine Ni atoms. There are one shorter (3.00 Å) and three longer (3.04 Å) Ho–Mn bond lengths. There are six shorter (2.85 Å) and three longer (3.16 Å) Ho–Ni bond lengths. In the third Ho site, Ho is bonded in a 12-coordinate geometry to three equivalent Mn and nine Ni atoms. All Ho–Mn bond lengths are 2.99 Å. There are six shorter (2.95 Å) and three longer (2.97 Å) Ho–Ni bond lengths. There are three inequivalent Mn sites. In the first Mn site, Mn is bonded in a 7-coordinate geometry to four Ho, three equivalent Mn, and nine Ni atoms. All Mn–Mn bond lengths are 2.96 Å. There are three shorter (2.71 Å) and six longer (3.08 Å) Mn–Ni bond lengths. In the second Mn site, Mn is bonded in a 12-coordinate geometry to three equivalent Ho, three equivalent Mn, and six Ni atoms. There are three shorter (2.48 Å) and three longer (2.49 Å) Mn–Ni bond lengths. In the third Mn site, Mn is bonded to six Ho and six Ni atoms to form distorted MnHo6Ni6 cuboctahedra that share corners with twelve NiHo4Mn4Ni4 cuboctahedra, edges with six equivalent MnHo6Ni6 cuboctahedra, and faces with eighteen NiHo5Mn3Ni4 cuboctahedra. There are three shorter (2.51 Å) and three longer (2.52 Å) Mn–Ni bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded to five Ho, three Mn, and four equivalent Ni atoms to form distorted NiHo5Mn3Ni4 cuboctahedra that share corners with two equivalent MnHo6Ni6 cuboctahedra, corners with fourteen NiHo5Mn3Ni4 cuboctahedra, edges with six NiHo5Mn3Ni4 cuboctahedra, faces with three equivalent MnHo6Ni6 cuboctahedra, and faces with twelve NiHo5Mn3Ni4 cuboctahedra. There are two shorter (2.54 Å) and two longer (2.56 Å) Ni–Ni bond lengths. In the second Ni site, Ni is bonded to four Ho, four Mn, and four equivalent Ni atoms to form distorted NiHo4Mn4Ni4 cuboctahedra that share corners with two equivalent MnHo6Ni6 cuboctahedra, corners with fourteen NiHo5Mn3Ni4 cuboctahedra, edges with six NiHo4Mn4Ni4 cuboctahedra, faces with three equivalent MnHo6Ni6 cuboctahedra, and faces with twelve NiHo5Mn3Ni4 cuboctahedra. There are two shorter (2.53 Å) and two longer (2.57 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:
- 1666394
- Report Number(s):
- mp-1224273
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on Sc3(MnNi2)2 by Materials Project
Materials Data on Zr3(MnNi2)2 by Materials Project