Materials Data on Mg2AlB2Ir5 by Materials Project
Mg2Ir5AlB2 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 2.93 Å. There are a spread of Mg–Ir bond distances ranging from 2.78–2.96 Å. There are one shorter (2.66 Å) and two longer (2.90 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 2.93 Å. There are a spread of Mg–Ir bond distances ranging from 2.78–2.96 Å. There are one shorter (2.66 Å) and two longer (2.90 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 2.23 Å. In the second Ir site, Ir is bonded in a 8-coordinate geometry to four Mg, two equivalent Al, and two equivalent B atoms. Both Ir–Al bond lengths are 2.59 Å. Both Ir–B bond lengths are 2.18 Å. Al is bonded in a body-centered cubic geometry to eight equivalent Ir atoms. 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 (2.18 Å) and two longer (2.23 Å) B–Ir bond lengths.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1310364
- Report Number(s):
- mp-865047
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on BaMgBO3F by Materials Project
Materials Data on MgSc8Ga15Cu29 by Materials Project