U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ti5Sb3 by Materials Project
Abstract
Ti5Sb3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are four inequivalent Ti sites. In the first Ti site, Ti is bonded in a 5-coordinate geometry to five Sb atoms. There are a spread of Ti–Sb bond distances ranging from 2.72–2.97 Å. In the second Ti site, Ti is bonded in a 5-coordinate geometry to five Sb atoms. There are a spread of Ti–Sb bond distances ranging from 2.76–2.95 Å. In the third Ti site, Ti is bonded in a 5-coordinate geometry to five Sb atoms. There are three shorter (2.80 Å) and two longer (2.82 Å) Ti–Sb bond lengths. In the fourth Ti site, Ti is bonded to six Sb atoms to form distorted corner-sharing TiSb6 octahedra. The corner-sharing octahedra tilt angles range from 30–47°. There are a spread of Ti–Sb bond distances ranging from 2.75–2.92 Å. There are two inequivalent Sb sites. In the first Sb site, Sb is bonded in a 8-coordinate geometry to eight Ti atoms. In the second Sb site, Sb is bonded in a 9-coordinate geometry to nine Ti atoms.
- Publication Date:
- Other Number(s):
- mp-22033
- 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; Sb-Ti; Ti5Sb3; crystal structure
- OSTI Identifier:
- 1197303
- DOI:
- https://doi.org/10.17188/1197303
Citation Formats
Materials Data on Ti5Sb3 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1197303.
Materials Data on Ti5Sb3 by Materials Project. United States. doi:https://doi.org/10.17188/1197303
2019.
"Materials Data on Ti5Sb3 by Materials Project". United States. doi:https://doi.org/10.17188/1197303. https://www.osti.gov/servlets/purl/1197303. Pub date:Thu Jun 06 00:00:00 EDT 2019
@article{osti_1197303,
title = {Materials Data on Ti5Sb3 by Materials Project},
abstractNote = {Ti5Sb3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are four inequivalent Ti sites. In the first Ti site, Ti is bonded in a 5-coordinate geometry to five Sb atoms. There are a spread of Ti–Sb bond distances ranging from 2.72–2.97 Å. In the second Ti site, Ti is bonded in a 5-coordinate geometry to five Sb atoms. There are a spread of Ti–Sb bond distances ranging from 2.76–2.95 Å. In the third Ti site, Ti is bonded in a 5-coordinate geometry to five Sb atoms. There are three shorter (2.80 Å) and two longer (2.82 Å) Ti–Sb bond lengths. In the fourth Ti site, Ti is bonded to six Sb atoms to form distorted corner-sharing TiSb6 octahedra. The corner-sharing octahedra tilt angles range from 30–47°. There are a spread of Ti–Sb bond distances ranging from 2.75–2.92 Å. There are two inequivalent Sb sites. In the first Sb site, Sb is bonded in a 8-coordinate geometry to eight Ti atoms. In the second Sb site, Sb is bonded in a 9-coordinate geometry to nine Ti atoms.},
doi = {10.17188/1197303},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {6}
}