Materials Data on TiFeGe by Materials Project
TiFeGe crystallizes in the orthorhombic Ima2 space group. The structure is three-dimensional. there are three inequivalent Ti sites. In the first Ti site, Ti is bonded in a 5-coordinate geometry to four Fe and six Ge atoms. There are two shorter (2.78 Å) and two longer (3.06 Å) Ti–Fe bond lengths. There are a spread of Ti–Ge bond distances ranging from 2.59–3.14 Å. In the second Ti site, Ti is bonded in a 5-coordinate geometry to four Fe and five Ge atoms. There are two shorter (2.76 Å) and two longer (2.80 Å) Ti–Fe bond lengths. There are a spread of Ti–Ge bond distances ranging from 2.59–2.65 Å. In the third Ti site, Ti is bonded in a 11-coordinate geometry to six Fe and five Ge atoms. There are a spread of Ti–Fe bond distances ranging from 2.68–2.81 Å. There are a spread of Ti–Ge bond distances ranging from 2.61–2.83 Å. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 12-coordinate geometry to six Ti, two equivalent Fe, and four Ge atoms. Both Fe–Fe bond lengths are 2.75 Å. There are two shorter (2.43 Å) and two longer (2.46 Å) Fe–Ge bond lengths. In the second Fe site, Fe is bonded in a 8-coordinate geometry to four Ti, one Fe, and four Ge atoms. There are two shorter (2.40 Å) and two longer (2.45 Å) Fe–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 10-coordinate geometry to four Ti and six Fe atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six Ti and three Fe 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:
- 1705204
- Report Number(s):
- mp-1208403
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on TiGeOs by Materials Project
Materials Data on TiGeRh by Materials Project
Materials Data on TiGeRu by Materials Project
Dataset
·
Fri Jan 11 23:00:00 EST 2019
·
OSTI ID:1725030
Materials Data on TiGeRh by Materials Project
Dataset
·
Sat May 02 00:00:00 EDT 2020
·
OSTI ID:1729052
Materials Data on TiGeRu by Materials Project
Dataset
·
Sun May 03 00:00:00 EDT 2020
·
OSTI ID:1704727