Materials Data on Ti10(GaSb)3 by Materials Project
Abstract
Ti10(GaSb)3 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are three inequivalent Ti sites. In the first Ti site, Ti is bonded in a 8-coordinate geometry to two equivalent Ti, three equivalent Ga, and three equivalent Sb atoms. There are one shorter (2.56 Å) and one longer (2.76 Å) Ti–Ti bond lengths. All Ti–Ga bond lengths are 2.75 Å. All Ti–Sb bond lengths are 2.78 Å. In the second Ti site, Ti is bonded in a 5-coordinate geometry to three equivalent Ga and two equivalent Sb atoms. There are two shorter (2.67 Å) and one longer (2.87 Å) Ti–Ga bond lengths. Both Ti–Sb bond lengths are 2.90 Å. In the third Ti site, Ti is bonded in a 5-coordinate geometry to two equivalent Ga and three equivalent Sb atoms. Both Ti–Ga bond lengths are 2.89 Å. There are two shorter (2.71 Å) and one longer (2.85 Å) Ti–Sb bond lengths. Ga is bonded in a 11-coordinate geometry to nine Ti atoms. Sb is bonded in a 9-coordinate geometry to nine Ti atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1217250
- 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; Ti10(GaSb)3; Ga-Sb-Ti
- OSTI Identifier:
- 1727148
- DOI:
- https://doi.org/10.17188/1727148
Citation Formats
The Materials Project. Materials Data on Ti10(GaSb)3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1727148.
The Materials Project. Materials Data on Ti10(GaSb)3 by Materials Project. United States. doi:https://doi.org/10.17188/1727148
The Materials Project. 2020.
"Materials Data on Ti10(GaSb)3 by Materials Project". United States. doi:https://doi.org/10.17188/1727148. https://www.osti.gov/servlets/purl/1727148. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1727148,
title = {Materials Data on Ti10(GaSb)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Ti10(GaSb)3 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are three inequivalent Ti sites. In the first Ti site, Ti is bonded in a 8-coordinate geometry to two equivalent Ti, three equivalent Ga, and three equivalent Sb atoms. There are one shorter (2.56 Å) and one longer (2.76 Å) Ti–Ti bond lengths. All Ti–Ga bond lengths are 2.75 Å. All Ti–Sb bond lengths are 2.78 Å. In the second Ti site, Ti is bonded in a 5-coordinate geometry to three equivalent Ga and two equivalent Sb atoms. There are two shorter (2.67 Å) and one longer (2.87 Å) Ti–Ga bond lengths. Both Ti–Sb bond lengths are 2.90 Å. In the third Ti site, Ti is bonded in a 5-coordinate geometry to two equivalent Ga and three equivalent Sb atoms. Both Ti–Ga bond lengths are 2.89 Å. There are two shorter (2.71 Å) and one longer (2.85 Å) Ti–Sb bond lengths. Ga is bonded in a 11-coordinate geometry to nine Ti atoms. Sb is bonded in a 9-coordinate geometry to nine Ti atoms.},
doi = {10.17188/1727148},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}