Materials Data on Zr2(TiSi)3 by Materials Project
Zr2(TiSi)3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. Zr2+ is bonded to six equivalent Si4- atoms to form a mixture of corner, edge, and face-sharing ZrSi6 octahedra. The corner-sharing octahedral tilt angles are 40°. All Zr–Si bond lengths are 2.78 Å. Ti+2.67+ is bonded in a 5-coordinate geometry to five equivalent Si4- atoms. There are a spread of Ti–Si bond distances ranging from 2.57–2.89 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Zr2+ and five equivalent Ti+2.67+ 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:
- 1725252
- Report Number(s):
- mp-1215754
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on Zr2(TiSn)3 by Materials Project
Materials Data on Zr5Si3 by Materials Project
Materials Data on ZrBeSi by Materials Project
Dataset
·
Fri Jan 11 23:00:00 EST 2019
·
OSTI ID:1704254
Materials Data on Zr5Si3 by Materials Project
Dataset
·
Tue Jul 14 00:00:00 EDT 2020
·
OSTI ID:1274252
Materials Data on ZrBeSi by Materials Project
Dataset
·
Thu Jul 16 00:00:00 EDT 2020
·
OSTI ID:1186811