Materials Data on AlTeI7 by Materials Project
AlTeI7 crystallizes in the monoclinic Pc space group. The structure is one-dimensional and consists of two AlTeI7 ribbons oriented in the (0, 1, 0) direction. Al3+ is bonded to four I1- atoms to form AlI4 tetrahedra that share a cornercorner with one TeI6 octahedra and an edgeedge with one TeI6 octahedra. The corner-sharing octahedral tilt angles are 62°. There are a spread of Al–I bond distances ranging from 2.55–2.59 Å. Te4+ is bonded to six I1- atoms to form distorted TeI6 octahedra that share a cornercorner with one AlI4 tetrahedra and an edgeedge with one AlI4 tetrahedra. There are a spread of Te–I bond distances ranging from 2.77–3.70 Å. There are seven inequivalent I1- sites. In the first I1- site, I1- is bonded in a single-bond geometry to one Te4+ atom. In the second I1- site, I1- is bonded in a single-bond geometry to one Te4+ atom. In the third I1- site, I1- is bonded in a single-bond geometry to one Te4+ atom. In the fourth I1- site, I1- is bonded in a distorted L-shaped geometry to one Al3+ and one Te4+ atom. In the fifth I1- site, I1- is bonded in a distorted L-shaped geometry to one Al3+ and one Te4+ atom. In the sixth I1- site, I1- is bonded in a distorted single-bond geometry to one Al3+ and one Te4+ atom. In the seventh I1- site, I1- is bonded in a single-bond geometry to 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:
- 1203782
- Report Number(s):
- mp-29407
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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