Materials Data on Cu19Sn16 by Materials Project
Cu19Sn16 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are nineteen inequivalent Cu sites. In the first Cu site, Cu is bonded in a 9-coordinate geometry to three Cu and six Sn atoms. There are a spread of Cu–Cu bond distances ranging from 2.55–2.69 Å. There are a spread of Cu–Sn bond distances ranging from 2.67–2.85 Å. In the second Cu site, Cu is bonded in a distorted q6 geometry to four Cu and six Sn atoms. There are a spread of Cu–Cu bond distances ranging from 2.57–2.73 Å. There are a spread of Cu–Sn bond distances ranging from 2.72–2.88 Å. In the third Cu site, Cu is bonded in a distorted q6 geometry to four Cu and six Sn atoms. There are a spread of Cu–Cu bond distances ranging from 2.58–2.74 Å. There are a spread of Cu–Sn bond distances ranging from 2.79–2.87 Å. In the fourth Cu site, Cu is bonded in a 9-coordinate geometry to three Cu and six Sn atoms. There are a spread of Cu–Cu bond distances ranging from 2.54–2.72 Å. There are a spread of Cu–Sn bond distances ranging from 2.72–2.88 Å. In the fifth Cu site, Cu is bonded in a distorted q6 geometry to three Cu and six Sn atoms. There are one shorter (2.54 Å) and one longer (2.62 Å) Cu–Cu bond lengths. There are a spread of Cu–Sn bond distances ranging from 2.64–2.87 Å. In the sixth Cu site, Cu is bonded in a 10-coordinate geometry to four Cu and six Sn atoms. There are two shorter (2.60 Å) and one longer (2.72 Å) Cu–Cu bond lengths. There are a spread of Cu–Sn bond distances ranging from 2.69–2.89 Å. In the seventh Cu site, Cu is bonded in a 9-coordinate geometry to three Cu and six Sn atoms. There are one shorter (2.56 Å) and one longer (2.69 Å) Cu–Cu bond lengths. There are a spread of Cu–Sn bond distances ranging from 2.67–2.90 Å. In the eighth Cu site, Cu is bonded in a 10-coordinate geometry to four Cu and six Sn atoms. There are a spread of Cu–Cu bond distances ranging from 2.59–2.75 Å. There are a spread of Cu–Sn bond distances ranging from 2.73–2.91 Å. In the ninth Cu site, Cu is bonded in a 9-coordinate geometry to three Cu and six Sn atoms. There are one shorter (2.55 Å) and one longer (2.72 Å) Cu–Cu bond lengths. There are a spread of Cu–Sn bond distances ranging from 2.71–2.83 Å. In the tenth Cu site, Cu is bonded in a 9-coordinate geometry to three Cu and six Sn atoms. There are one shorter (2.61 Å) and one longer (2.70 Å) Cu–Cu bond lengths. There are a spread of Cu–Sn bond distances ranging from 2.71–2.80 Å. In the eleventh Cu site, Cu is bonded in a 9-coordinate geometry to three Cu and six Sn atoms. There are one shorter (2.56 Å) and one longer (2.71 Å) Cu–Cu bond lengths. There are a spread of Cu–Sn bond distances ranging from 2.71–2.81 Å. In the twelfth Cu site, Cu is bonded in a body-centered cubic geometry to two Cu and six Sn atoms. The Cu–Cu bond length is 2.59 Å. There are a spread of Cu–Sn bond distances ranging from 2.68–2.87 Å. In the thirteenth Cu site, Cu is bonded in a distorted q6 geometry to three Cu and six Sn atoms. The Cu–Cu bond length is 2.64 Å. There are a spread of Cu–Sn bond distances ranging from 2.70–2.91 Å. In the fourteenth Cu site, Cu is bonded in a distorted q6 geometry to three Cu and six Sn atoms. The Cu–Cu bond length is 2.67 Å. There are a spread of Cu–Sn bond distances ranging from 2.70–2.86 Å. In the fifteenth Cu site, Cu is bonded in a distorted q6 geometry to three Cu and six Sn atoms. The Cu–Cu bond length is 2.64 Å. There are a spread of Cu–Sn bond distances ranging from 2.70–2.94 Å. In the sixteenth Cu site, Cu is bonded in a body-centered cubic geometry to two Cu and six Sn atoms. There are a spread of Cu–Sn bond distances ranging from 2.71–2.81 Å. In the seventeenth Cu site, Cu is bonded in a 11-coordinate geometry to six Cu and five Sn atoms. There are a spread of Cu–Sn bond distances ranging from 2.64–2.77 Å. In the eighteenth Cu site, Cu is bonded in a 11-coordinate geometry to six Cu and five Sn atoms. There are a spread of Cu–Sn bond distances ranging from 2.64–2.77 Å. In the nineteenth Cu site, Cu is bonded in a 11-coordinate geometry to six Cu and five Sn atoms. There are a spread of Cu–Sn bond distances ranging from 2.63–2.78 Å. There are sixteen inequivalent Sn sites. In the first Sn site, Sn is bonded in a 8-coordinate geometry to eight Cu atoms. In the second Sn site, Sn is bonded in a 7-coordinate geometry to seven Cu atoms. In the third Sn site, Sn is bonded in a 8-coordinate geometry to eight Cu atoms. In the fourth Sn site, Sn is bonded in a 7-coordinate geometry to seven Cu atoms. In the fifth Sn site, Sn is bonded in a 7-coordinate geometry to seven Cu atoms. In the sixth Sn site, Sn is bonded in a 7-coordinate geometry to seven Cu atoms. In the seventh Sn site, Sn is bonded in a 7-coordinate geometry to seven Cu atoms. In the eighth Sn site, Sn is bonded in a 6-coordinate geometry to six Cu atoms. In the ninth Sn site, Sn is bonded in a 6-coordinate geometry to six Cu atoms. In the tenth Sn site, Sn is bonded in a 7-coordinate geometry to seven Cu atoms. In the eleventh Sn site, Sn is bonded in a 7-coordinate geometry to seven Cu atoms. In the twelfth Sn site, Sn is bonded in a 7-coordinate geometry to seven Cu atoms. In the thirteenth Sn site, Sn is bonded in a 7-coordinate geometry to seven Cu atoms. In the fourteenth Sn site, Sn is bonded in a 7-coordinate geometry to seven Cu atoms. In the fifteenth Sn site, Sn is bonded in a 7-coordinate geometry to seven Cu atoms. In the sixteenth Sn site, Sn is bonded in a 6-coordinate geometry to six Cu atoms.
- 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:
- 1751523
- Report Number(s):
- mp-1225980
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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