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Title: Materials Data on Al13Co4 by Materials Project

Abstract

Al13Co4 crystallizes in the orthorhombic Pmn2_1 space group. The structure is three-dimensional. there are ten inequivalent Co sites. In the first Co site, Co is bonded in a 11-coordinate geometry to eleven Al atoms. There are a spread of Co–Al bond distances ranging from 2.40–2.94 Å. In the second Co site, Co is bonded in a 10-coordinate geometry to ten Al atoms. There are a spread of Co–Al bond distances ranging from 2.32–2.85 Å. In the third Co site, Co is bonded in a 10-coordinate geometry to ten Al atoms. There are a spread of Co–Al bond distances ranging from 2.34–2.82 Å. In the fourth Co site, Co is bonded in a 10-coordinate geometry to ten Al atoms. There are a spread of Co–Al bond distances ranging from 2.37–2.69 Å. In the fifth Co site, Co is bonded in a 11-coordinate geometry to eleven Al atoms. There are a spread of Co–Al bond distances ranging from 2.40–2.88 Å. In the sixth Co site, Co is bonded in a 10-coordinate geometry to ten Al atoms. There are a spread of Co–Al bond distances ranging from 2.31–2.83 Å. In the seventh Co site, Co is bonded in a 10-coordinate geometry to tenmore » Al atoms. There are a spread of Co–Al bond distances ranging from 2.37–2.70 Å. In the eighth Co site, Co is bonded in a 10-coordinate geometry to ten Al atoms. There are a spread of Co–Al bond distances ranging from 2.34–2.74 Å. In the ninth Co site, Co is bonded in a 9-coordinate geometry to nine Al atoms. There are a spread of Co–Al bond distances ranging from 2.26–2.62 Å. In the tenth Co site, Co is bonded in a 9-coordinate geometry to nine Al atoms. There are a spread of Co–Al bond distances ranging from 2.27–2.68 Å. There are twenty-eight inequivalent Al sites. In the first Al site, Al is bonded in a 3-coordinate geometry to four Co and one Al atom. The Al–Al bond length is 2.52 Å. In the second Al site, Al is bonded in a 3-coordinate geometry to three Co atoms. In the third Al site, Al is bonded in a 2-coordinate geometry to four Co atoms. In the fourth Al site, Al is bonded in a 3-coordinate geometry to three Co atoms. In the fifth Al site, Al is bonded in a linear geometry to two Co atoms. In the sixth Al site, Al is bonded in a distorted linear geometry to two Co and one Al atom. The Al–Al bond length is 2.82 Å. In the seventh Al site, Al is bonded in a 4-coordinate geometry to four Co and seven Al atoms. There are a spread of Al–Al bond distances ranging from 2.63–2.84 Å. In the eighth Al site, Al is bonded in a distorted linear geometry to two Co atoms. In the ninth Al site, Al is bonded in a 3-coordinate geometry to three Co atoms. In the tenth Al site, Al is bonded in a distorted linear geometry to two Co and two equivalent Al atoms. Both Al–Al bond lengths are 2.88 Å. In the eleventh Al site, Al is bonded in a distorted linear geometry to two Co and three Al atoms. Both Al–Al bond lengths are 2.71 Å. In the twelfth Al site, Al is bonded in a 3-coordinate geometry to three Co and two equivalent Al atoms. Both Al–Al bond lengths are 2.84 Å. In the thirteenth Al site, Al is bonded in a 3-coordinate geometry to four Co and three Al atoms. There are one shorter (2.51 Å) and two longer (2.65 Å) Al–Al bond lengths. In the fourteenth Al site, Al is bonded in a 2-coordinate geometry to four Co atoms. In the fifteenth Al site, Al is bonded in a 11-coordinate geometry to four Co and seven Al atoms. There are two shorter (2.63 Å) and two longer (2.80 Å) Al–Al bond lengths. In the sixteenth Al site, Al is bonded in a linear geometry to two equivalent Co atoms. In the seventeenth Al site, Al is bonded in a linear geometry to two equivalent Co and two equivalent Al atoms. Both Al–Al bond lengths are 2.98 Å. In the eighteenth Al site, Al is bonded in a 3-coordinate geometry to three Co and one Al atom. The Al–Al bond length is 2.71 Å. In the nineteenth Al site, Al is bonded in a 2-coordinate geometry to three Co atoms. In the twentieth Al site, Al is bonded in a 3-coordinate geometry to three Co and one Al atom. In the twenty-first Al site, Al is bonded in a 4-coordinate geometry to four Co and one Al atom. The Al–Al bond length is 2.76 Å. In the twenty-second Al site, Al is bonded in a 2-coordinate geometry to three Co atoms. In the twenty-third Al site, Al is bonded in a 2-coordinate geometry to three Co and one Al atom. In the twenty-fourth Al site, Al is bonded in a 2-coordinate geometry to three Co and nine Al atoms. There are one shorter (2.80 Å) and one longer (2.93 Å) Al–Al bond lengths. In the twenty-fifth Al site, Al is bonded in a 3-coordinate geometry to three Co atoms. In the twenty-sixth Al site, Al is bonded in a 3-coordinate geometry to three Co and two Al atoms. In the twenty-seventh Al site, Al is bonded in a 2-coordinate geometry to three Co and one Al atom. In the twenty-eighth Al site, Al is bonded in a 2-coordinate geometry to three Co and one Al atom.« less

Publication Date:
Other Number(s):
mp-1198336
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; Al13Co4; Al-Co
OSTI Identifier:
1666719
DOI:
https://doi.org/10.17188/1666719

Citation Formats

The Materials Project. Materials Data on Al13Co4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1666719.
The Materials Project. Materials Data on Al13Co4 by Materials Project. United States. doi:https://doi.org/10.17188/1666719
The Materials Project. 2020. "Materials Data on Al13Co4 by Materials Project". United States. doi:https://doi.org/10.17188/1666719. https://www.osti.gov/servlets/purl/1666719. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1666719,
title = {Materials Data on Al13Co4 by Materials Project},
author = {The Materials Project},
abstractNote = {Al13Co4 crystallizes in the orthorhombic Pmn2_1 space group. The structure is three-dimensional. there are ten inequivalent Co sites. In the first Co site, Co is bonded in a 11-coordinate geometry to eleven Al atoms. There are a spread of Co–Al bond distances ranging from 2.40–2.94 Å. In the second Co site, Co is bonded in a 10-coordinate geometry to ten Al atoms. There are a spread of Co–Al bond distances ranging from 2.32–2.85 Å. In the third Co site, Co is bonded in a 10-coordinate geometry to ten Al atoms. There are a spread of Co–Al bond distances ranging from 2.34–2.82 Å. In the fourth Co site, Co is bonded in a 10-coordinate geometry to ten Al atoms. There are a spread of Co–Al bond distances ranging from 2.37–2.69 Å. In the fifth Co site, Co is bonded in a 11-coordinate geometry to eleven Al atoms. There are a spread of Co–Al bond distances ranging from 2.40–2.88 Å. In the sixth Co site, Co is bonded in a 10-coordinate geometry to ten Al atoms. There are a spread of Co–Al bond distances ranging from 2.31–2.83 Å. In the seventh Co site, Co is bonded in a 10-coordinate geometry to ten Al atoms. There are a spread of Co–Al bond distances ranging from 2.37–2.70 Å. In the eighth Co site, Co is bonded in a 10-coordinate geometry to ten Al atoms. There are a spread of Co–Al bond distances ranging from 2.34–2.74 Å. In the ninth Co site, Co is bonded in a 9-coordinate geometry to nine Al atoms. There are a spread of Co–Al bond distances ranging from 2.26–2.62 Å. In the tenth Co site, Co is bonded in a 9-coordinate geometry to nine Al atoms. There are a spread of Co–Al bond distances ranging from 2.27–2.68 Å. There are twenty-eight inequivalent Al sites. In the first Al site, Al is bonded in a 3-coordinate geometry to four Co and one Al atom. The Al–Al bond length is 2.52 Å. In the second Al site, Al is bonded in a 3-coordinate geometry to three Co atoms. In the third Al site, Al is bonded in a 2-coordinate geometry to four Co atoms. In the fourth Al site, Al is bonded in a 3-coordinate geometry to three Co atoms. In the fifth Al site, Al is bonded in a linear geometry to two Co atoms. In the sixth Al site, Al is bonded in a distorted linear geometry to two Co and one Al atom. The Al–Al bond length is 2.82 Å. In the seventh Al site, Al is bonded in a 4-coordinate geometry to four Co and seven Al atoms. There are a spread of Al–Al bond distances ranging from 2.63–2.84 Å. In the eighth Al site, Al is bonded in a distorted linear geometry to two Co atoms. In the ninth Al site, Al is bonded in a 3-coordinate geometry to three Co atoms. In the tenth Al site, Al is bonded in a distorted linear geometry to two Co and two equivalent Al atoms. Both Al–Al bond lengths are 2.88 Å. In the eleventh Al site, Al is bonded in a distorted linear geometry to two Co and three Al atoms. Both Al–Al bond lengths are 2.71 Å. In the twelfth Al site, Al is bonded in a 3-coordinate geometry to three Co and two equivalent Al atoms. Both Al–Al bond lengths are 2.84 Å. In the thirteenth Al site, Al is bonded in a 3-coordinate geometry to four Co and three Al atoms. There are one shorter (2.51 Å) and two longer (2.65 Å) Al–Al bond lengths. In the fourteenth Al site, Al is bonded in a 2-coordinate geometry to four Co atoms. In the fifteenth Al site, Al is bonded in a 11-coordinate geometry to four Co and seven Al atoms. There are two shorter (2.63 Å) and two longer (2.80 Å) Al–Al bond lengths. In the sixteenth Al site, Al is bonded in a linear geometry to two equivalent Co atoms. In the seventeenth Al site, Al is bonded in a linear geometry to two equivalent Co and two equivalent Al atoms. Both Al–Al bond lengths are 2.98 Å. In the eighteenth Al site, Al is bonded in a 3-coordinate geometry to three Co and one Al atom. The Al–Al bond length is 2.71 Å. In the nineteenth Al site, Al is bonded in a 2-coordinate geometry to three Co atoms. In the twentieth Al site, Al is bonded in a 3-coordinate geometry to three Co and one Al atom. In the twenty-first Al site, Al is bonded in a 4-coordinate geometry to four Co and one Al atom. The Al–Al bond length is 2.76 Å. In the twenty-second Al site, Al is bonded in a 2-coordinate geometry to three Co atoms. In the twenty-third Al site, Al is bonded in a 2-coordinate geometry to three Co and one Al atom. In the twenty-fourth Al site, Al is bonded in a 2-coordinate geometry to three Co and nine Al atoms. There are one shorter (2.80 Å) and one longer (2.93 Å) Al–Al bond lengths. In the twenty-fifth Al site, Al is bonded in a 3-coordinate geometry to three Co atoms. In the twenty-sixth Al site, Al is bonded in a 3-coordinate geometry to three Co and two Al atoms. In the twenty-seventh Al site, Al is bonded in a 2-coordinate geometry to three Co and one Al atom. In the twenty-eighth Al site, Al is bonded in a 2-coordinate geometry to three Co and one Al atom.},
doi = {10.17188/1666719},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}