Materials Data on AlInI4 by Materials Project
InAlI4 crystallizes in the monoclinic P2_1/m space group. The structure is two-dimensional and consists of one InAlI4 sheet oriented in the (1, 0, 0) direction. In1+ is bonded in a 5-coordinate geometry to five I1- atoms. There are a spread of In–I bond distances ranging from 3.48–3.77 Å. There are two inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded in a tetrahedral geometry to four I1- atoms. There are a spread of Al–I bond distances ranging from 2.56–2.59 Å. In the second Al3+ site, Al3+ is bonded in a tetrahedral geometry to four I1- atoms. There are a spread of Al–I bond distances ranging from 2.56–2.59 Å. There are six inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted single-bond geometry to two equivalent In1+ and one Al3+ atom. In the second I1- site, I1- is bonded in a distorted L-shaped geometry to one In1+ and one Al3+ atom. In the third I1- site, I1- is bonded in a single-bond geometry to one Al3+ atom. In the fourth I1- site, I1- is bonded in a single-bond geometry to one In1+ and one Al3+ atom. In the fifth I1- site, I1- is bonded in a distorted single-bond geometry to two equivalent In1+ and one Al3+ atom. In the sixth I1- site, I1- is bonded in a distorted single-bond geometry to two equivalent In1+ and one Al3+ 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:
- 1276169
- Report Number(s):
- mp-571260
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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