Materials Data on LaMgI5 by Materials Project
MgLaI5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Mg2+ is bonded to four I1- atoms to form MgI4 tetrahedra that share corners with four equivalent LaI6 octahedra. The corner-sharing octahedra tilt angles range from 32–59°. There are a spread of Mg–I bond distances ranging from 2.75–2.82 Å. La3+ is bonded to six I1- atoms to form LaI6 octahedra that share corners with two equivalent LaI6 octahedra and corners with four equivalent MgI4 tetrahedra. The corner-sharing octahedral tilt angles are 28°. There are a spread of La–I bond distances ranging from 3.17–3.22 Å. There are five inequivalent I1- sites. In the first I1- site, I1- is bonded in a bent 120 degrees geometry to one Mg2+ and one La3+ atom. In the second I1- site, I1- is bonded in a bent 150 degrees geometry to two equivalent La3+ atoms. In the third I1- site, I1- is bonded in a bent 150 degrees geometry to one Mg2+ and one La3+ atom. In the fourth I1- site, I1- is bonded in a bent 120 degrees geometry to one Mg2+ and one La3+ atom. In the fifth I1- site, I1- is bonded in a bent 120 degrees geometry to one Mg2+ and one La3+ atom.
- 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:
- 1299812
- Report Number(s):
- mp-770494
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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