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Title: Materials Data on AlTeI7 by Materials Project

Abstract

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+ andmore » 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.« less

Publication Date:
Other Number(s):
mp-29407
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; AlTeI7; Al-I-Te
OSTI Identifier:
1203782
DOI:
https://doi.org/10.17188/1203782

Citation Formats

The Materials Project. Materials Data on AlTeI7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1203782.
The Materials Project. Materials Data on AlTeI7 by Materials Project. United States. doi:https://doi.org/10.17188/1203782
The Materials Project. 2020. "Materials Data on AlTeI7 by Materials Project". United States. doi:https://doi.org/10.17188/1203782. https://www.osti.gov/servlets/purl/1203782. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1203782,
title = {Materials Data on AlTeI7 by Materials Project},
author = {The Materials Project},
abstractNote = {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.},
doi = {10.17188/1203782},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}