Materials Data on Ag(CO)2 by Materials Project
AgO2C2 crystallizes in the triclinic P1 space group. The structure is two-dimensional and consists of one AgO2C2 ribbon oriented in the (0, 1, 0) direction and one AgO2C2 sheet oriented in the (0, 0, 1) direction. In the AgO2C2 ribbon, there are four inequivalent Ag2+ sites. In the first Ag2+ site, Ag2+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Ag–O bond distances ranging from 2.26–2.53 Å. In the second Ag2+ site, Ag2+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Ag–O bond distances ranging from 2.29–2.49 Å. In the third Ag2+ site, Ag2+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Ag–O bond distances ranging from 2.26–2.50 Å. In the fourth Ag2+ site, Ag2+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Ag–O bond distances ranging from 2.28–2.53 Å. There are eight inequivalent C1+ sites. In the first C1+ site, C1+ is bonded in a single-bond geometry to one O2- atom. The C–O bond length is 1.26 Å. In the second C1+ site, C1+ is bonded in a single-bond geometry to one O2- atom. The C–O bond length is 1.26 Å. In the third C1+ site, C1+ is bonded in a single-bond geometry to one O2- atom. The C–O bond length is 1.27 Å. In the fourth C1+ site, C1+ is bonded in a single-bond geometry to one O2- atom. The C–O bond length is 1.27 Å. In the fifth C1+ site, C1+ is bonded in a single-bond geometry to one O2- atom. The C–O bond length is 1.27 Å. In the sixth C1+ site, C1+ is bonded in a single-bond geometry to one O2- atom. The C–O bond length is 1.27 Å. In the seventh C1+ site, C1+ is bonded in a single-bond geometry to one O2- atom. The C–O bond length is 1.27 Å. In the eighth C1+ site, C1+ is bonded in a single-bond geometry to one O2- atom. The C–O bond length is 1.27 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two Ag2+ and one C1+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two Ag2+ and one C1+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two Ag2+ and one C1+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two Ag2+ and one C1+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to two Ag2+ and one C1+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to two Ag2+ and one C1+ atom. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to two Ag2+ and one C1+ atom. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to two Ag2+ and one C1+ atom. In the AgO2C2 sheet, there are four inequivalent Ag2+ sites. In the first Ag2+ site, Ag2+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Ag–O bond distances ranging from 2.36–2.74 Å. In the second Ag2+ site, Ag2+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Ag–O bond distances ranging from 2.37–2.73 Å. In the third Ag2+ site, Ag2+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Ag–O bond distances ranging from 2.36–2.74 Å. In the fourth Ag2+ site, Ag2+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Ag–O bond distances ranging from 2.36–2.77 Å. There are eight inequivalent C1+ sites. In the first C1+ site, C1+ is bonded in a single-bond geometry to one O2- atom. The C–O bond length is 1.26 Å. In the second C1+ site, C1+ is bonded in a single-bond geometry to one O2- atom. The C–O bond length is 1.26 Å. In the third C1+ site, C1+ is bonded in a single-bond geometry to one O2- atom. The C–O bond length is 1.26 Å. In the fourth C1+ site, C1+ is bonded in a single-bond geometry to one O2- atom. The C–O bond length is 1.26 Å. In the fifth C1+ site, C1+ is bonded in a single-bond geometry to one O2- atom. The C–O bond length is 1.26 Å. In the sixth C1+ site, C1+ is bonded in a single-bond geometry to one O2- atom. The C–O bond length is 1.26 Å. In the seventh C1+ site, C1+ is bonded in a single-bond geometry to one O2- atom. The C–O bond length is 1.26 Å. In the eighth C1+ site, C1+ is bonded in a single-bond geometry to one O2- atom. The C–O bond length is 1.26 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two Ag2+ and one C1+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two Ag2+ and one C1+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two Ag2+ and one C1+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to two Ag2+ and one C1+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to two Ag2+ and one C1+ atom. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to two Ag2+ and one C1+ atom. In the seventh O2- site, O2- is bonded in a 1-coordinate geometry to two Ag2+ and one C1+ atom. In the eighth O2- site, O2- is bonded in a 1-coordinate geometry to two Ag2+ and one C1+ 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:
- 1277291
- Report Number(s):
- mp-600237
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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