Crystal structure of carbon dioxide at high pressure : "Superhard" polymeric carbon dioxide
(1999) In Physical Review Letters 83(26 I). p.5527-5530- Abstract
The crystal structures of two molecular phases (I and III) and a polymeric phase (V) of CO2 have been investigated to 60 GPa. CO2-1 (Pa3) transforms to CO2-III (Cmca) at 12 GPa with almost no change of density. Although CO2-III persists in Cmca to at least 60 GPa at ambient temperature, it transforms when heated to 1800 K above 40 GPa to tridymite (P212121) CO2-V with 15.3% volume change. Each carbon atom of CO2-V is tetrahedrally bonded to four oxygen atoms. CO2-V is likely superhard with low compressibility B0 = 365 GPa, similar to cubic BN.
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https://lup.lub.lu.se/record/42f9c9c7-0d14-4668-a7c4-a54afa2ca416
- author
- Yoo, C. S. ; Cynn, H. ; Gygi, F. ; Galli, G. ; Iota, V. ; Nicol, M. ; Carlson, S. LU ; Häusermann, D. and Mailhiot, C.
- publishing date
- 1999-12-27
- type
- Contribution to journal
- publication status
- published
- in
- Physical Review Letters
- volume
- 83
- issue
- 26 I
- pages
- 4 pages
- publisher
- American Physical Society
- external identifiers
-
- scopus:4243171698
- ISSN
- 0031-9007
- language
- English
- LU publication?
- no
- id
- 42f9c9c7-0d14-4668-a7c4-a54afa2ca416
- date added to LUP
- 2016-05-04 11:24:27
- date last changed
- 2022-04-24 07:13:03
@article{42f9c9c7-0d14-4668-a7c4-a54afa2ca416, abstract = {{<p>The crystal structures of two molecular phases (I and III) and a polymeric phase (V) of CO<sub>2</sub> have been investigated to 60 GPa. CO<sub>2</sub>-1 (Pa3) transforms to CO<sub>2</sub>-III (Cmca) at 12 GPa with almost no change of density. Although CO<sub>2</sub>-III persists in Cmca to at least 60 GPa at ambient temperature, it transforms when heated to 1800 K above 40 GPa to tridymite (P2<sub>1</sub>2<sub>1</sub>2<sub>1</sub>) CO<sub>2</sub>-V with 15.3% volume change. Each carbon atom of CO<sub>2</sub>-V is tetrahedrally bonded to four oxygen atoms. CO<sub>2</sub>-V is likely superhard with low compressibility B<sub>0</sub> = 365 GPa, similar to cubic BN.</p>}}, author = {{Yoo, C. S. and Cynn, H. and Gygi, F. and Galli, G. and Iota, V. and Nicol, M. and Carlson, S. and Häusermann, D. and Mailhiot, C.}}, issn = {{0031-9007}}, language = {{eng}}, month = {{12}}, number = {{26 I}}, pages = {{5527--5530}}, publisher = {{American Physical Society}}, series = {{Physical Review Letters}}, title = {{Crystal structure of carbon dioxide at high pressure : "Superhard" polymeric carbon dioxide}}, volume = {{83}}, year = {{1999}}, }