Materials Data on Ti2AlGe3 by Materials Project
Abstract
Ti2AlGe3 is Zirconium Disilicide-derived structured and crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded in a 10-coordinate geometry to two equivalent Al and eight Ge atoms. Both Ti–Al bond lengths are 2.81 Å. There are a spread of Ti–Ge bond distances ranging from 2.65–2.97 Å. In the second Ti site, Ti is bonded in a 10-coordinate geometry to two equivalent Al and eight Ge atoms. Both Ti–Al bond lengths are 2.83 Å. There are a spread of Ti–Ge bond distances ranging from 2.66–2.98 Å. Al is bonded in a distorted rectangular see-saw-like geometry to four Ti and four equivalent Ge atoms. All Al–Ge bond lengths are 2.62 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to four Ti and four equivalent Al atoms. In the second Ge site, Ge is bonded in a 4-coordinate geometry to six Ti and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.63 Å. In the third Ge site, Ge is bonded in a 4-coordinate geometry to six Ti and two equivalent Ge atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1217076
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; Ti2AlGe3; Al-Ge-Ti
- OSTI Identifier:
- 1689617
- DOI:
- https://doi.org/10.17188/1689617
Citation Formats
The Materials Project. Materials Data on Ti2AlGe3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1689617.
The Materials Project. Materials Data on Ti2AlGe3 by Materials Project. United States. doi:https://doi.org/10.17188/1689617
The Materials Project. 2020.
"Materials Data on Ti2AlGe3 by Materials Project". United States. doi:https://doi.org/10.17188/1689617. https://www.osti.gov/servlets/purl/1689617. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1689617,
title = {Materials Data on Ti2AlGe3 by Materials Project},
author = {The Materials Project},
abstractNote = {Ti2AlGe3 is Zirconium Disilicide-derived structured and crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded in a 10-coordinate geometry to two equivalent Al and eight Ge atoms. Both Ti–Al bond lengths are 2.81 Å. There are a spread of Ti–Ge bond distances ranging from 2.65–2.97 Å. In the second Ti site, Ti is bonded in a 10-coordinate geometry to two equivalent Al and eight Ge atoms. Both Ti–Al bond lengths are 2.83 Å. There are a spread of Ti–Ge bond distances ranging from 2.66–2.98 Å. Al is bonded in a distorted rectangular see-saw-like geometry to four Ti and four equivalent Ge atoms. All Al–Ge bond lengths are 2.62 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to four Ti and four equivalent Al atoms. In the second Ge site, Ge is bonded in a 4-coordinate geometry to six Ti and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.63 Å. In the third Ge site, Ge is bonded in a 4-coordinate geometry to six Ti and two equivalent Ge atoms.},
doi = {10.17188/1689617},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sun May 03 00:00:00 EDT 2020},
month = {Sun May 03 00:00:00 EDT 2020}
}