Structure of Solid CO2: Face-Centered Cubic w/ 4 Atoms?

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SUMMARY

The structure of solid carbon dioxide (CO2) is confirmed to be face-centered cubic (FCC) with four CO2 molecules in the unit cell. This conclusion is supported by literature, specifically the work of C.S. Yoo et al. (1999) published in Phys. Rev. Lett. 83 (26): 5527-5530, which provides experimental data on bond lengths and unit cell dimensions. The discussion emphasizes the importance of understanding the differences in chemical interactions between CO2 and silicon dioxide (SiO2) in various phases.

PREREQUISITES
  • Understanding of face-centered cubic (FCC) crystal structures
  • Familiarity with solid-state chemistry concepts
  • Knowledge of bond lengths and unit cell dimensions
  • Experience with interpreting scientific literature in materials science
NEXT STEPS
  • Research the experimental data on CO2 phases from C.S. Yoo et al. (1999)
  • Explore the differences in chemical interactions between CO2 and SiO2
  • Study the implications of crystal structure on physical properties of solid CO2
  • Investigate computational modeling techniques for representing unit cells in Cartesian coordinates
USEFUL FOR

Researchers in materials science, chemists studying solid-state chemistry, and students seeking to understand the structural properties of carbon dioxide in its solid phase.

jd1828
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If found a few places that suggest that CO2 1 has a face center cubic with 4 CO2 atoms in the unit cell. Does this sound right? I could also use some literature source that backs this up.
 
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jd1828 said:
If found a few places that suggest that CO2 1 has a face center cubic with 4 CO2 atoms in the unit cell. Does this sound right? I could also use some literature source that backs this up.


They wouldn't be CO2 atoms, but that was a deliberate mistake to check we were paying attention, right?! A few links I found on Google seem to back up what you've got (FCC), but not found anything conclusive so far.
 
It seems strange that I can't find any good souces on something that sounds so simple. I should also add that what I am really looking for here is the bond lenghts or I guess the distances between atoms. the size of the unit cell (edge length or whatever its called). This can be at any temp and pressure as long as it is still with in the first solid phase of CO2. I guess I could also go with data from the other phases as well but I would like to start with CO2 (I) first. I am trying to represent a unit cell of CO2 in cartesian coordinates
 
Last edited:
No time to figure this out (am in a bit of a rush), but I remembered that this guy out in California did some work on this topic a while back and managed to find the citation via Google which may help:
C.S. Yoo, et al (1999) Phys. Rev. Lett. 83 (26): 5527-5530.
I would think a face-centered cubic structure would be OK as a first try, though. As I had to explain to one of my students a while back, you see the difference between the strength of weak chemical interactions versus covalent interactions when comparing carbon dioxide (dry ice) and silicon dioxide (quartz) quite clearly...
 
Mike H said:
No time to figure this out (am in a bit of a rush), but I remembered that this guy out in California did some work on this topic a while back and managed to find the citation via Google which may help:
C.S. Yoo, et al (1999) Phys. Rev. Lett. 83 (26): 5527-5530.
I would think a face-centered cubic structure would be OK as a first try, though. As I had to explain to one of my students a while back, you see the difference between the strength of weak chemical interactions versus covalent interactions when comparing carbon dioxide (dry ice) and silicon dioxide (quartz) quite clearly...

Thanks, I found the paper and looks like it has everything I was looking for. It also has the experimental data for several other phases too which I would have needed at some point as well.
 

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