U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on TiMnGe by Materials Project
Abstract
TiMnGe 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 4-coordinate geometry to five Ge atoms. There are a spread of Ti–Ge bond distances ranging from 2.64–2.90 Å. In the second Ti site, Ti is bonded to six Ge atoms to form distorted face-sharing TiGe6 square pyramids. There are a spread of Ti–Ge bond distances ranging from 2.63–3.08 Å. In the third Ti site, Ti is bonded in a 5-coordinate geometry to five Ge atoms. There are a spread of Ti–Ge bond distances ranging from 2.63–2.67 Å. There are two inequivalent Mn sites. In the first Mn site, Mn is bonded in a 4-coordinate geometry to four Ge atoms. There are a spread of Mn–Ge bond distances ranging from 2.42–2.50 Å. In the second Mn site, Mn is bonded in a 4-coordinate geometry to four Ge atoms. There are two shorter (2.46 Å) and two longer (2.51 Å) Mn–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six Ti and three Mn atoms. In the second Ge site, Gemore »
- Publication Date:
- Other Number(s):
- mp-1106030
- 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-Mn-Ti; TiMnGe; crystal structure
- OSTI Identifier:
- 1721828
- DOI:
- https://doi.org/10.17188/1721828
Citation Formats
Materials Data on TiMnGe by Materials Project. United States: N. p., 2018.
Web. doi:10.17188/1721828.
Materials Data on TiMnGe by Materials Project. United States. doi:https://doi.org/10.17188/1721828
2018.
"Materials Data on TiMnGe by Materials Project". United States. doi:https://doi.org/10.17188/1721828. https://www.osti.gov/servlets/purl/1721828. Pub date:Thu Jul 19 04:00:00 UTC 2018
@article{osti_1721828,
title = {Materials Data on TiMnGe by Materials Project},
abstractNote = {TiMnGe 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 4-coordinate geometry to five Ge atoms. There are a spread of Ti–Ge bond distances ranging from 2.64–2.90 Å. In the second Ti site, Ti is bonded to six Ge atoms to form distorted face-sharing TiGe6 square pyramids. There are a spread of Ti–Ge bond distances ranging from 2.63–3.08 Å. In the third Ti site, Ti is bonded in a 5-coordinate geometry to five Ge atoms. There are a spread of Ti–Ge bond distances ranging from 2.63–2.67 Å. There are two inequivalent Mn sites. In the first Mn site, Mn is bonded in a 4-coordinate geometry to four Ge atoms. There are a spread of Mn–Ge bond distances ranging from 2.42–2.50 Å. In the second Mn site, Mn is bonded in a 4-coordinate geometry to four Ge atoms. There are two shorter (2.46 Å) and two longer (2.51 Å) Mn–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six Ti and three Mn atoms. In the second Ge site, Ge is bonded in a 10-coordinate geometry to four Ti and six Mn atoms.},
doi = {10.17188/1721828},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {7}
}