Materials Data on ZrMnSi by Materials Project
ZrMnSi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Zr2+ is bonded to five equivalent Si4- atoms to form distorted ZrSi5 trigonal bipyramids that share corners with eight equivalent MnSi4 tetrahedra, corners with eight equivalent ZrSi5 trigonal bipyramids, edges with six equivalent MnSi4 tetrahedra, and edges with six equivalent ZrSi5 trigonal bipyramids. There are a spread of Zr–Si bond distances ranging from 2.73–2.82 Å. Mn2+ is bonded to four equivalent Si4- atoms to form MnSi4 tetrahedra that share corners with eight equivalent MnSi4 tetrahedra, corners with eight equivalent ZrSi5 trigonal bipyramids, edges with two equivalent MnSi4 tetrahedra, and edges with six equivalent ZrSi5 trigonal bipyramids. There are a spread of Mn–Si bond distances ranging from 2.40–2.57 Å. Si4- is bonded in a 9-coordinate geometry to five equivalent Zr2+ and four equivalent Mn2+ 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:
- 1197442
- Report Number(s):
- mp-22227
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on ZrSiNi by Materials Project
Materials Data on ZrSiPd by Materials Project
Materials Data on ZrFeSi by Materials Project
Dataset
·
Sun May 03 00:00:00 EDT 2020
·
OSTI ID:1701647
Materials Data on ZrSiPd by Materials Project
Dataset
·
Sat May 02 00:00:00 EDT 2020
·
OSTI ID:1691043
Materials Data on ZrFeSi by Materials Project
Dataset
·
Sun May 03 00:00:00 EDT 2020
·
OSTI ID:1723399