U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on TiSb3 by Materials Project
Abstract
TiSb3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ti3+ is bonded to twelve Sb1- atoms to form TiSb12 cuboctahedra that share corners with four equivalent TiSb12 cuboctahedra, edges with eight equivalent TiSb12 cuboctahedra, edges with sixteen equivalent SbTi4Sb8 cuboctahedra, faces with four equivalent TiSb12 cuboctahedra, and faces with eight equivalent SbTi4Sb8 cuboctahedra. There are four shorter (3.12 Å) and eight longer (3.30 Å) Ti–Sb bond lengths. There are two inequivalent Sb1- sites. In the first Sb1- site, Sb1- is bonded to four equivalent Ti3+ and eight Sb1- atoms to form distorted SbTi4Sb8 cuboctahedra that share corners with twelve equivalent SbTi4Sb8 cuboctahedra, edges with eight equivalent TiSb12 cuboctahedra, edges with eight equivalent SbTi4Sb8 cuboctahedra, faces with four equivalent TiSb12 cuboctahedra, and faces with ten equivalent SbTi4Sb8 cuboctahedra. There are four shorter (3.12 Å) and four longer (3.30 Å) Sb–Sb bond lengths. In the second Sb1- site, Sb1- is bonded in a distorted square co-planar geometry to four equivalent Ti3+ and eight equivalent Sb1- atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1187528
- 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; TiSb3; Sb-Ti
- OSTI Identifier:
- 1739333
- DOI:
- https://doi.org/10.17188/1739333
Citation Formats
The Materials Project. Materials Data on TiSb3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1739333.
The Materials Project. Materials Data on TiSb3 by Materials Project. United States. doi:https://doi.org/10.17188/1739333
The Materials Project. 2020.
"Materials Data on TiSb3 by Materials Project". United States. doi:https://doi.org/10.17188/1739333. https://www.osti.gov/servlets/purl/1739333. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1739333,
title = {Materials Data on TiSb3 by Materials Project},
author = {The Materials Project},
abstractNote = {TiSb3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ti3+ is bonded to twelve Sb1- atoms to form TiSb12 cuboctahedra that share corners with four equivalent TiSb12 cuboctahedra, edges with eight equivalent TiSb12 cuboctahedra, edges with sixteen equivalent SbTi4Sb8 cuboctahedra, faces with four equivalent TiSb12 cuboctahedra, and faces with eight equivalent SbTi4Sb8 cuboctahedra. There are four shorter (3.12 Å) and eight longer (3.30 Å) Ti–Sb bond lengths. There are two inequivalent Sb1- sites. In the first Sb1- site, Sb1- is bonded to four equivalent Ti3+ and eight Sb1- atoms to form distorted SbTi4Sb8 cuboctahedra that share corners with twelve equivalent SbTi4Sb8 cuboctahedra, edges with eight equivalent TiSb12 cuboctahedra, edges with eight equivalent SbTi4Sb8 cuboctahedra, faces with four equivalent TiSb12 cuboctahedra, and faces with ten equivalent SbTi4Sb8 cuboctahedra. There are four shorter (3.12 Å) and four longer (3.30 Å) Sb–Sb bond lengths. In the second Sb1- site, Sb1- is bonded in a distorted square co-planar geometry to four equivalent Ti3+ and eight equivalent Sb1- atoms.},
doi = {10.17188/1739333},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}