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

AI Thread Summary
The discussion centers on the crystallographic structure of solid carbon dioxide (CO2), specifically questioning whether it has a face-centered cubic (FCC) arrangement with four CO2 units in the unit cell. Participants note the difficulty in finding conclusive literature on this topic, despite some sources suggesting the FCC structure. The focus shifts to the need for specific data, including bond lengths and unit cell dimensions, applicable to the first solid phase of CO2. A reference to a paper by C.S. Yoo et al. from 1999 in Physical Review Letters is highlighted as a valuable resource that contains the necessary experimental data for various phases of CO2. The conversation underscores the differences in chemical bonding between CO2 and silicon dioxide, emphasizing the nature of weak versus strong interactions in these compounds. Ultimately, the cited paper appears to fulfill the information needs expressed in the discussion.
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
 
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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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