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Title: Materials Data on Al4C3 by Materials Project

Abstract

Al4C3 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded in a 5-coordinate geometry to five C4- atoms. There are a spread of Al–C bond distances ranging from 1.98–2.20 Å. In the second Al3+ site, Al3+ is bonded in a 4-coordinate geometry to four C4- atoms. There are a spread of Al–C bond distances ranging from 2.00–2.33 Å. In the third Al3+ site, Al3+ is bonded in a distorted see-saw-like geometry to four C4- atoms. There are a spread of Al–C bond distances ranging from 2.01–2.23 Å. In the fourth Al3+ site, Al3+ is bonded in a distorted trigonal non-coplanar geometry to three C4- atoms. There are one shorter (2.01 Å) and two longer (2.10 Å) Al–C bond lengths. There are three inequivalent C4- sites. In the first C4- site, C4- is bonded to five Al3+ atoms to form corner-sharing CAl5 trigonal bipyramids. In the second C4- site, C4- is bonded in a 6-coordinate geometry to five Al3+ and one C4- atom. The C–C bond length is 1.75 Å. In the third C4- site, C4- is bonded in a 7-coordinate geometry to six Al3+more » and one C4- atom.« less

Publication Date:
Other Number(s):
mp-632442
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; Al4C3; Al-C
OSTI Identifier:
1279315
DOI:
10.17188/1279315

Citation Formats

The Materials Project. Materials Data on Al4C3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1279315.
The Materials Project. Materials Data on Al4C3 by Materials Project. United States. doi:10.17188/1279315.
The Materials Project. 2020. "Materials Data on Al4C3 by Materials Project". United States. doi:10.17188/1279315. https://www.osti.gov/servlets/purl/1279315. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1279315,
title = {Materials Data on Al4C3 by Materials Project},
author = {The Materials Project},
abstractNote = {Al4C3 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded in a 5-coordinate geometry to five C4- atoms. There are a spread of Al–C bond distances ranging from 1.98–2.20 Å. In the second Al3+ site, Al3+ is bonded in a 4-coordinate geometry to four C4- atoms. There are a spread of Al–C bond distances ranging from 2.00–2.33 Å. In the third Al3+ site, Al3+ is bonded in a distorted see-saw-like geometry to four C4- atoms. There are a spread of Al–C bond distances ranging from 2.01–2.23 Å. In the fourth Al3+ site, Al3+ is bonded in a distorted trigonal non-coplanar geometry to three C4- atoms. There are one shorter (2.01 Å) and two longer (2.10 Å) Al–C bond lengths. There are three inequivalent C4- sites. In the first C4- site, C4- is bonded to five Al3+ atoms to form corner-sharing CAl5 trigonal bipyramids. In the second C4- site, C4- is bonded in a 6-coordinate geometry to five Al3+ and one C4- atom. The C–C bond length is 1.75 Å. In the third C4- site, C4- is bonded in a 7-coordinate geometry to six Al3+ and one C4- atom.},
doi = {10.17188/1279315},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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