Materials Data on Ti6Ge5 by Materials Project
Abstract
Ti6Ge5 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. there are three inequivalent Ti sites. In the first Ti site, Ti is bonded to seven Ge atoms to form a mixture of distorted edge, face, and corner-sharing TiGe7 pentagonal bipyramids. There are a spread of Ti–Ge bond distances ranging from 2.63–2.95 Å. In the second Ti site, Ti is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of Ti–Ge bond distances ranging from 2.50–2.86 Å. In the third Ti site, Ti is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Ti–Ge bond distances ranging from 2.59–2.74 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 10-coordinate geometry to eight Ti and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.62 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to nine Ti atoms. In the third Ge site, Ge is bonded in a 7-coordinate geometry to seven Ti atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1365
- 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; Ti6Ge5; Ge-Ti
- OSTI Identifier:
- 1189701
- DOI:
- https://doi.org/10.17188/1189701
Citation Formats
The Materials Project. Materials Data on Ti6Ge5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1189701.
The Materials Project. Materials Data on Ti6Ge5 by Materials Project. United States. doi:https://doi.org/10.17188/1189701
The Materials Project. 2020.
"Materials Data on Ti6Ge5 by Materials Project". United States. doi:https://doi.org/10.17188/1189701. https://www.osti.gov/servlets/purl/1189701. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1189701,
title = {Materials Data on Ti6Ge5 by Materials Project},
author = {The Materials Project},
abstractNote = {Ti6Ge5 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. there are three inequivalent Ti sites. In the first Ti site, Ti is bonded to seven Ge atoms to form a mixture of distorted edge, face, and corner-sharing TiGe7 pentagonal bipyramids. There are a spread of Ti–Ge bond distances ranging from 2.63–2.95 Å. In the second Ti site, Ti is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of Ti–Ge bond distances ranging from 2.50–2.86 Å. In the third Ti site, Ti is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Ti–Ge bond distances ranging from 2.59–2.74 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 10-coordinate geometry to eight Ti and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.62 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to nine Ti atoms. In the third Ge site, Ge is bonded in a 7-coordinate geometry to seven Ti atoms.},
doi = {10.17188/1189701},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Tue Jul 14 00:00:00 EDT 2020},
month = {Tue Jul 14 00:00:00 EDT 2020}
}