U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on TiGeRh by Materials Project
Abstract
TiRhGe 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 two equivalent Rh and five Ge atoms. Both Ti–Rh bond lengths are 2.87 Å. There are two shorter (2.67 Å) and three longer (2.68 Å) Ti–Ge bond lengths. In the second Ti site, Ti is bonded in a 9-coordinate geometry to four Rh and five Ge atoms. There are two shorter (2.81 Å) and two longer (2.86 Å) Ti–Rh bond lengths. There are a spread of Ti–Ge bond distances ranging from 2.67–2.80 Å. In the third Ti site, Ti is bonded in a 11-coordinate geometry to six Rh and five Ge atoms. There are a spread of Ti–Rh bond distances ranging from 2.77–2.90 Å. There are a spread of Ti–Ge bond distances ranging from 2.69–2.96 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 8-coordinate geometry to four Ti and four Ge atoms. There are two shorter (2.52 Å) and two longer (2.53 Å) Rh–Ge bond lengths. In the second Rh site, Rh is bonded in a 8-coordinate geometry to fourmore »
- Publication Date:
- Other Number(s):
- mp-1208205
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Ge-Rh-Ti; TiGeRh; crystal structure
- OSTI Identifier:
- 1729052
- DOI:
- https://doi.org/10.17188/1729052
Citation Formats
Materials Data on TiGeRh by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1729052.
Materials Data on TiGeRh by Materials Project. United States. doi:https://doi.org/10.17188/1729052
2020.
"Materials Data on TiGeRh by Materials Project". United States. doi:https://doi.org/10.17188/1729052. https://www.osti.gov/servlets/purl/1729052. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1729052,
title = {Materials Data on TiGeRh by Materials Project},
abstractNote = {TiRhGe 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 two equivalent Rh and five Ge atoms. Both Ti–Rh bond lengths are 2.87 Å. There are two shorter (2.67 Å) and three longer (2.68 Å) Ti–Ge bond lengths. In the second Ti site, Ti is bonded in a 9-coordinate geometry to four Rh and five Ge atoms. There are two shorter (2.81 Å) and two longer (2.86 Å) Ti–Rh bond lengths. There are a spread of Ti–Ge bond distances ranging from 2.67–2.80 Å. In the third Ti site, Ti is bonded in a 11-coordinate geometry to six Rh and five Ge atoms. There are a spread of Ti–Rh bond distances ranging from 2.77–2.90 Å. There are a spread of Ti–Ge bond distances ranging from 2.69–2.96 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 8-coordinate geometry to four Ti and four Ge atoms. There are two shorter (2.52 Å) and two longer (2.53 Å) Rh–Ge bond lengths. In the second Rh site, Rh is bonded in a 8-coordinate geometry to four Ti and four Ge atoms. There are a spread of Rh–Ge bond distances ranging from 2.51–2.53 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 10-coordinate geometry to three Ti and six Rh atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six Ti and three Rh atoms.},
doi = {10.17188/1729052},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}