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Title: Materials Data on ReI3 by Materials Project

Abstract

ReI3 crystallizes in the monoclinic P2_1/m space group. The structure is one-dimensional and consists of one ReI3 ribbon oriented in the (0, 1, 0) direction. there are two inequivalent Re3+ sites. In the first Re3+ site, Re3+ is bonded in a see-saw-like geometry to four I1- atoms. There are a spread of Re–I bond distances ranging from 2.60–2.77 Å. In the second Re3+ site, Re3+ is bonded to five I1- atoms to form a mixture of distorted edge and corner-sharing ReI5 square pyramids. There are a spread of Re–I bond distances ranging from 2.65–3.01 Å. There are six inequivalent I1- sites. In the first I1- site, I1- is bonded in a single-bond geometry to one Re3+ atom. In the second I1- site, I1- is bonded in a water-like geometry to two equivalent Re3+ atoms. In the third I1- site, I1- is bonded in a single-bond geometry to one Re3+ atom. In the fourth I1- site, I1- is bonded in a 12-coordinate geometry to two Re3+ atoms. In the fifth I1- site, I1- is bonded in a single-bond geometry to one Re3+ atom. In the sixth I1- site, I1- is bonded in a 11-coordinate geometry to two equivalent Re3+ atoms.

Publication Date:
Other Number(s):
mp-573815
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; ReI3; I-Re
OSTI Identifier:
1276528
DOI:
10.17188/1276528

Citation Formats

The Materials Project. Materials Data on ReI3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1276528.
The Materials Project. Materials Data on ReI3 by Materials Project. United States. doi:10.17188/1276528.
The Materials Project. 2020. "Materials Data on ReI3 by Materials Project". United States. doi:10.17188/1276528. https://www.osti.gov/servlets/purl/1276528. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1276528,
title = {Materials Data on ReI3 by Materials Project},
author = {The Materials Project},
abstractNote = {ReI3 crystallizes in the monoclinic P2_1/m space group. The structure is one-dimensional and consists of one ReI3 ribbon oriented in the (0, 1, 0) direction. there are two inequivalent Re3+ sites. In the first Re3+ site, Re3+ is bonded in a see-saw-like geometry to four I1- atoms. There are a spread of Re–I bond distances ranging from 2.60–2.77 Å. In the second Re3+ site, Re3+ is bonded to five I1- atoms to form a mixture of distorted edge and corner-sharing ReI5 square pyramids. There are a spread of Re–I bond distances ranging from 2.65–3.01 Å. There are six inequivalent I1- sites. In the first I1- site, I1- is bonded in a single-bond geometry to one Re3+ atom. In the second I1- site, I1- is bonded in a water-like geometry to two equivalent Re3+ atoms. In the third I1- site, I1- is bonded in a single-bond geometry to one Re3+ atom. In the fourth I1- site, I1- is bonded in a 12-coordinate geometry to two Re3+ atoms. In the fifth I1- site, I1- is bonded in a single-bond geometry to one Re3+ atom. In the sixth I1- site, I1- is bonded in a 11-coordinate geometry to two equivalent Re3+ atoms.},
doi = {10.17188/1276528},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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