U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Mg2SiB2Ir5 by Materials Project
Abstract
Mg2Ir5B2Si crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 11-coordinate geometry to two equivalent Mg, ten Ir, and three B atoms. Both Mg–Mg bond lengths are 2.91 Å. There are a spread of Mg–Ir bond distances ranging from 2.75–2.95 Å. There are one shorter (2.65 Å) and two longer (2.87 Å) Mg–B bond lengths. In the second Mg site, Mg is bonded in a 11-coordinate geometry to two equivalent Mg, ten Ir, and three B atoms. Both Mg–Mg bond lengths are 2.91 Å. There are a spread of Mg–Ir bond distances ranging from 2.75–2.95 Å. There are one shorter (2.65 Å) and two longer (2.87 Å) Mg–B bond lengths. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a distorted body-centered cubic geometry to four equivalent Mg and four equivalent B atoms. All Ir–B bond lengths are 2.22 Å. In the second Ir site, Ir is bonded in a 8-coordinate geometry to four equivalent Mg, two equivalent B, and two equivalent Si atoms. Both Ir–B bond lengths are 2.19 Å. Both Ir–Si bond lengths aremore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-22250
- 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; Mg2SiB2Ir5; B-Ir-Mg-Si
- OSTI Identifier:
- 1197462
- DOI:
- https://doi.org/10.17188/1197462
Citation Formats
The Materials Project. Materials Data on Mg2SiB2Ir5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1197462.
The Materials Project. Materials Data on Mg2SiB2Ir5 by Materials Project. United States. doi:https://doi.org/10.17188/1197462
The Materials Project. 2020.
"Materials Data on Mg2SiB2Ir5 by Materials Project". United States. doi:https://doi.org/10.17188/1197462. https://www.osti.gov/servlets/purl/1197462. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1197462,
title = {Materials Data on Mg2SiB2Ir5 by Materials Project},
author = {The Materials Project},
abstractNote = {Mg2Ir5B2Si crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 11-coordinate geometry to two equivalent Mg, ten Ir, and three B atoms. Both Mg–Mg bond lengths are 2.91 Å. There are a spread of Mg–Ir bond distances ranging from 2.75–2.95 Å. There are one shorter (2.65 Å) and two longer (2.87 Å) Mg–B bond lengths. In the second Mg site, Mg is bonded in a 11-coordinate geometry to two equivalent Mg, ten Ir, and three B atoms. Both Mg–Mg bond lengths are 2.91 Å. There are a spread of Mg–Ir bond distances ranging from 2.75–2.95 Å. There are one shorter (2.65 Å) and two longer (2.87 Å) Mg–B bond lengths. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a distorted body-centered cubic geometry to four equivalent Mg and four equivalent B atoms. All Ir–B bond lengths are 2.22 Å. In the second Ir site, Ir is bonded in a 8-coordinate geometry to four equivalent Mg, two equivalent B, and two equivalent Si atoms. Both Ir–B bond lengths are 2.19 Å. Both Ir–Si bond lengths are 2.54 Å. There are two inequivalent B sites. In the first B site, B is bonded in a 7-coordinate geometry to three Mg and six Ir atoms. In the second B site, B is bonded in a 7-coordinate geometry to three Mg and six Ir atoms. There are four shorter (2.19 Å) and two longer (2.22 Å) B–Ir bond lengths. Si is bonded in a body-centered cubic geometry to eight equivalent Ir atoms.},
doi = {10.17188/1197462},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}