Ice XIV: Difference between revisions
Jump to navigation
Jump to search
Carl McBride (talk | contribs) m (Added a *very* short intro.) |
Carl McBride (talk | contribs) m (changed trminology.) |
||
| Line 4: | Line 4: | ||
A 'snapshot' of ice XIV at a [[temperature]] of 80 K and a [[pressure]] of 1 bar (100 kPa) is available for the [[TIP4P/2005]] model of [[water]]. | A 'snapshot' of ice XIV at a [[temperature]] of 80 K and a [[pressure]] of 1 bar (100 kPa) is available for the [[TIP4P/2005]] model of [[water]]. | ||
The [http://ftp.aip.org/epaps/journ_chem_phys/E-JCPSA6-129-802834/iceXIV.txt file] is composed of the atomic coordinates of 540 molecules, O(x,y,z), H(x,y,z) H(x,y,z) M(x,y,z) which | The [http://ftp.aip.org/epaps/journ_chem_phys/E-JCPSA6-129-802834/iceXIV.txt file] is composed of the atomic coordinates of 540 molecules, O(x,y,z), H(x,y,z) H(x,y,z) M(x,y,z) which | ||
correspond to the average positions (in box units). The last three lines represent the | correspond to the average positions (in box units). The last three lines represent the cell vectors (in ångströms). | ||
==References== | ==References== | ||
*[http://dx.doi.org/10.1126/science.1123896 Christoph G. Salzmann, Paolo G. Radaelli, Andreas Hallbrucker, Erwin Mayer, and John L. Finney, "The Preparation and Structures of Hydrogen Ordered Phases of Ice", Science, '''311''' pp. 1758-1761 (2006)] | *[http://dx.doi.org/10.1126/science.1123896 Christoph G. Salzmann, Paolo G. Radaelli, Andreas Hallbrucker, Erwin Mayer, and John L. Finney, "The Preparation and Structures of Hydrogen Ordered Phases of Ice", Science, '''311''' pp. 1758-1761 (2006)] | ||
Revision as of 18:59, 22 October 2008
|
This article is a 'stub' about water and/or ice. It has no, or next to no, content. It is here at the moment to help form part of the structure of SklogWiki. If you add material to this article, remove the {{Stub-water}} template from this page. |
Ice XIV was discovered experimentally in 2006 by Salzmann et al. (Ref. 1).
External resources
A 'snapshot' of ice XIV at a temperature of 80 K and a pressure of 1 bar (100 kPa) is available for the TIP4P/2005 model of water. The file is composed of the atomic coordinates of 540 molecules, O(x,y,z), H(x,y,z) H(x,y,z) M(x,y,z) which correspond to the average positions (in box units). The last three lines represent the cell vectors (in ångströms).
References
- Christoph G. Salzmann, Paolo G. Radaelli, Andreas Hallbrucker, Erwin Mayer, and John L. Finney, "The Preparation and Structures of Hydrogen Ordered Phases of Ice", Science, 311 pp. 1758-1761 (2006)
- Maria Martin-Conde, Luis G. MacDowell, and Carlos Vega, "Computer simulation of two new solid phases of water: Ice XIII and ice XIV", Journal of Chemical Physics, 125 116101 (2006)
- E. G. Noya, M. M. Conde, and C. Vega "Computing the free energy of molecular solids by the Einstein molecule approach: Ices XIII and XIV, hard-dumbbells and a patchy model of proteins", Journal of Chemical Physics 129 104704 (2008)