Materials Data on Al13Co4 by Materials Project
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 2.41–2.92 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 2.32–2.83 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 2.34–2.79 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 2.38–2.72 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 2.41–2.91 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 2.31–2.82 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 2.38–2.72 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 2.35–2.79 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 2.26–2.64 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 2.26–2.65 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 2.51 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 distorted 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 2.63–2.83 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 atoms. In the eleventh Al site, Al is bonded in a distorted linear geometry to two Co and one Al atom. In the twelfth Al site, Al is bonded in a 3-coordinate geometry to three Co atoms. In the thirteenth Al site, Al is bonded in a 3-coordinate geometry to four Co and one Al atom. The Al–Al bond length is 2.51 Å. 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 (2.83 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 atoms. In the eighteenth Al site, Al is bonded in a 3-coordinate geometry to three Co atoms. 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 12-coordinate geometry to four Co atoms. 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 atoms. 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 one Al atom. In the twenty-seventh Al site, Al is bonded in a 2-coordinate geometry to three Co atoms. In the twenty-eighth Al site, Al is bonded in a 2-coordinate geometry to three Co and one Al atom.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1205111
- Report Number(s):
- mp-30751
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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