U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Sn4B3Ir7 by Materials Project
Abstract
Ir7B3Sn4 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. there are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 2-coordinate geometry to two equivalent B and four Sn atoms. Both Ir–B bond lengths are 2.16 Å. There are a spread of Ir–Sn bond distances ranging from 2.73–2.95 Å. In the second Ir site, Ir is bonded to six equivalent B atoms to form face-sharing IrB6 octahedra. All Ir–B bond lengths are 2.31 Å. B is bonded to six Ir atoms to form a mixture of distorted edge and corner-sharing BIr6 pentagonal pyramids. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 6-coordinate geometry to six equivalent Ir atoms. In the second Sn site, Sn is bonded in a 6-coordinate geometry to six equivalent Ir atoms.
- Publication Date:
- Other Number(s):
- mp-28999
- 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; B-Ir-Sn; Sn4B3Ir7; crystal structure
- OSTI Identifier:
- 1203051
- DOI:
- https://doi.org/10.17188/1203051
Citation Formats
Materials Data on Sn4B3Ir7 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1203051.
Materials Data on Sn4B3Ir7 by Materials Project. United States. doi:https://doi.org/10.17188/1203051
2020.
"Materials Data on Sn4B3Ir7 by Materials Project". United States. doi:https://doi.org/10.17188/1203051. https://www.osti.gov/servlets/purl/1203051. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1203051,
title = {Materials Data on Sn4B3Ir7 by Materials Project},
abstractNote = {Ir7B3Sn4 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. there are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 2-coordinate geometry to two equivalent B and four Sn atoms. Both Ir–B bond lengths are 2.16 Å. There are a spread of Ir–Sn bond distances ranging from 2.73–2.95 Å. In the second Ir site, Ir is bonded to six equivalent B atoms to form face-sharing IrB6 octahedra. All Ir–B bond lengths are 2.31 Å. B is bonded to six Ir atoms to form a mixture of distorted edge and corner-sharing BIr6 pentagonal pyramids. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 6-coordinate geometry to six equivalent Ir atoms. In the second Sn site, Sn is bonded in a 6-coordinate geometry to six equivalent Ir atoms.},
doi = {10.17188/1203051},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}