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Title: Materials Data on Sc7CI12 by Materials Project

Abstract

Sc7CI12 crystallizes in the trigonal R3 space group. The structure is one-dimensional and consists of three Sc7CI12 ribbons oriented in the (0, 0, 1) direction. there are three inequivalent Sc+2.29+ sites. In the first Sc+2.29+ site, Sc+2.29+ is bonded in a 5-coordinate geometry to one C4- and four I1- atoms. The Sc–C bond length is 2.30 Å. There are a spread of Sc–I bond distances ranging from 2.93–2.97 Å. In the second Sc+2.29+ site, Sc+2.29+ is bonded in a 5-coordinate geometry to one C4- and four I1- atoms. The Sc–C bond length is 2.29 Å. There are a spread of Sc–I bond distances ranging from 2.88–2.98 Å. In the third Sc+2.29+ site, Sc+2.29+ is bonded in an octahedral geometry to six I1- atoms. There are three shorter (2.87 Å) and three longer (3.01 Å) Sc–I bond lengths. C4- is bonded in an octahedral geometry to six Sc+2.29+ atoms. There are four inequivalent I1- sites. In the first I1- site, I1- is bonded in a 2-coordinate geometry to two Sc+2.29+ atoms. In the second I1- site, I1- is bonded in a 2-coordinate geometry to two Sc+2.29+ atoms. In the third I1- site, I1- is bonded in a 3-coordinate geometry to threemore » Sc+2.29+ atoms. In the fourth I1- site, I1- is bonded in a distorted T-shaped geometry to three Sc+2.29+ atoms.« less

Authors:
Publication Date:
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)
Contributing Org.:
MIT; UC Berkeley; Duke; U Louvain
OSTI Identifier:
1202448
Report Number(s):
mp-28321
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Resource Type:
Data
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; crystal structure; Sc7CI12; C-I-Sc

Citation Formats

The Materials Project. Materials Data on Sc7CI12 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1202448.
The Materials Project. Materials Data on Sc7CI12 by Materials Project. United States. https://doi.org/10.17188/1202448
The Materials Project. 2020. "Materials Data on Sc7CI12 by Materials Project". United States. https://doi.org/10.17188/1202448. https://www.osti.gov/servlets/purl/1202448.
@article{osti_1202448,
title = {Materials Data on Sc7CI12 by Materials Project},
author = {The Materials Project},
abstractNote = {Sc7CI12 crystallizes in the trigonal R3 space group. The structure is one-dimensional and consists of three Sc7CI12 ribbons oriented in the (0, 0, 1) direction. there are three inequivalent Sc+2.29+ sites. In the first Sc+2.29+ site, Sc+2.29+ is bonded in a 5-coordinate geometry to one C4- and four I1- atoms. The Sc–C bond length is 2.30 Å. There are a spread of Sc–I bond distances ranging from 2.93–2.97 Å. In the second Sc+2.29+ site, Sc+2.29+ is bonded in a 5-coordinate geometry to one C4- and four I1- atoms. The Sc–C bond length is 2.29 Å. There are a spread of Sc–I bond distances ranging from 2.88–2.98 Å. In the third Sc+2.29+ site, Sc+2.29+ is bonded in an octahedral geometry to six I1- atoms. There are three shorter (2.87 Å) and three longer (3.01 Å) Sc–I bond lengths. C4- is bonded in an octahedral geometry to six Sc+2.29+ atoms. There are four inequivalent I1- sites. In the first I1- site, I1- is bonded in a 2-coordinate geometry to two Sc+2.29+ atoms. In the second I1- site, I1- is bonded in a 2-coordinate geometry to two Sc+2.29+ atoms. In the third I1- site, I1- is bonded in a 3-coordinate geometry to three Sc+2.29+ atoms. In the fourth I1- site, I1- is bonded in a distorted T-shaped geometry to three Sc+2.29+ atoms.},
doi = {10.17188/1202448},
url = {https://www.osti.gov/biblio/1202448}, journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 23 00:00:00 EDT 2020},
month = {Thu Jul 23 00:00:00 EDT 2020}
}