U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Sn5(BIr3)2 by Materials Project
Abstract
Sn5(Ir3B)2 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Ir is bonded in a 7-coordinate geometry to two B and five Sn atoms. There are one shorter (2.19 Å) and one longer (2.22 Å) Ir–B bond lengths. There are a spread of Ir–Sn bond distances ranging from 2.72–2.91 Å. There are two inequivalent B sites. In the first B site, B is bonded in a distorted pentagonal pyramidal geometry to six equivalent Ir atoms. In the second B site, B is bonded in a 6-coordinate geometry to six equivalent Ir and three equivalent Sn atoms. All B–Sn bond lengths are 2.71 Å. 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 7-coordinate geometry to six equivalent Ir and one B atom.
- Publication Date:
- Other Number(s):
- mp-28998
- 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; Sn5(BIr3)2; crystal structure
- OSTI Identifier:
- 1203050
- DOI:
- https://doi.org/10.17188/1203050
Citation Formats
Materials Data on Sn5(BIr3)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1203050.
Materials Data on Sn5(BIr3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1203050
2020.
"Materials Data on Sn5(BIr3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1203050. https://www.osti.gov/servlets/purl/1203050. Pub date:Thu Jul 16 04:00:00 UTC 2020
@article{osti_1203050,
title = {Materials Data on Sn5(BIr3)2 by Materials Project},
abstractNote = {Sn5(Ir3B)2 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Ir is bonded in a 7-coordinate geometry to two B and five Sn atoms. There are one shorter (2.19 Å) and one longer (2.22 Å) Ir–B bond lengths. There are a spread of Ir–Sn bond distances ranging from 2.72–2.91 Å. There are two inequivalent B sites. In the first B site, B is bonded in a distorted pentagonal pyramidal geometry to six equivalent Ir atoms. In the second B site, B is bonded in a 6-coordinate geometry to six equivalent Ir and three equivalent Sn atoms. All B–Sn bond lengths are 2.71 Å. 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 7-coordinate geometry to six equivalent Ir and one B atom.},
doi = {10.17188/1203050},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}