U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Mg10B16Ir19 by Materials Project
Abstract
Mg10Ir19B16 crystallizes in the cubic I-43m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a distorted bent 150 degrees geometry to two equivalent B atoms. Both Mg–B bond lengths are 2.56 Å. In the second Mg site, Mg is bonded in a 6-coordinate geometry to three equivalent Ir and three equivalent B atoms. All Mg–Ir bond lengths are 2.83 Å. All Mg–B bond lengths are 2.69 Å. There are three inequivalent Ir sites. In the first Ir site, Ir is bonded in a tetrahedral geometry to four equivalent B atoms. All Ir–B bond lengths are 2.06 Å. In the second Ir site, Ir is bonded in a 4-coordinate geometry to one Mg and four B atoms. There are a spread of Ir–B bond distances ranging from 2.11–2.18 Å. In the third Ir site, Ir is bonded in a 4-coordinate geometry to four equivalent B atoms. All Ir–B bond lengths are 2.18 Å. There are two inequivalent B sites. In the first B site, B is bonded in a 7-coordinate geometry to two Mg and five Ir atoms. In the second B site, B is bonded in amore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-568548
- 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; Mg10B16Ir19; B-Ir-Mg
- OSTI Identifier:
- 1274493
- DOI:
- https://doi.org/10.17188/1274493
Citation Formats
The Materials Project. Materials Data on Mg10B16Ir19 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1274493.
The Materials Project. Materials Data on Mg10B16Ir19 by Materials Project. United States. doi:https://doi.org/10.17188/1274493
The Materials Project. 2020.
"Materials Data on Mg10B16Ir19 by Materials Project". United States. doi:https://doi.org/10.17188/1274493. https://www.osti.gov/servlets/purl/1274493. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1274493,
title = {Materials Data on Mg10B16Ir19 by Materials Project},
author = {The Materials Project},
abstractNote = {Mg10Ir19B16 crystallizes in the cubic I-43m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a distorted bent 150 degrees geometry to two equivalent B atoms. Both Mg–B bond lengths are 2.56 Å. In the second Mg site, Mg is bonded in a 6-coordinate geometry to three equivalent Ir and three equivalent B atoms. All Mg–Ir bond lengths are 2.83 Å. All Mg–B bond lengths are 2.69 Å. There are three inequivalent Ir sites. In the first Ir site, Ir is bonded in a tetrahedral geometry to four equivalent B atoms. All Ir–B bond lengths are 2.06 Å. In the second Ir site, Ir is bonded in a 4-coordinate geometry to one Mg and four B atoms. There are a spread of Ir–B bond distances ranging from 2.11–2.18 Å. In the third Ir site, Ir is bonded in a 4-coordinate geometry to four equivalent B atoms. All Ir–B bond lengths are 2.18 Å. There are two inequivalent B sites. In the first B site, B is bonded in a 7-coordinate geometry to two Mg and five Ir atoms. In the second B site, B is bonded in a 4-coordinate geometry to four Ir atoms.},
doi = {10.17188/1274493},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}