| 113 |
|
open octagonal cavities that are typically greater than 6.3 \AA\ in |
| 114 |
|
diameter. This relatively open overall structure leads to crystals |
| 115 |
|
that are 0.07 g/cm$^3$ less dense on average than ice $I_h$. |
| 116 |
+ |
\begin{figure} |
| 117 |
+ |
\includegraphics[scale=1.0]{unitCell.eps} |
| 118 |
+ |
\caption{Unit cells for (A) Ice-{\it i} and (B) Ice-2{\it i}, the elongated variant of Ice-{\it i}. For Ice-{\it i}, the $a$ to $c$ relation is given by $a = 1.0607c$, while for Ice-2{\it i}, $a = 0.8925c$.} |
| 119 |
+ |
\label{iceiCell} |
| 120 |
+ |
\end{figure} |
| 121 |
+ |
\begin{figure} |
| 122 |
+ |
\includegraphics[scale=1.0]{orderedIcei.eps} |
| 123 |
+ |
\caption{Image of a proton ordered crystal of Ice-{\it i} looking |
| 124 |
+ |
down the (001) crystal face. The rows of water tetramers surrounded by |
| 125 |
+ |
octagonal pores leads to a crystal structure that is significantly |
| 126 |
+ |
less dense than ice $I_h$.} |
| 127 |
+ |
\label{protOrder} |
| 128 |
+ |
\end{figure} |
| 129 |
|
|
| 130 |
|
Results in the previous study indicated that Ice-{\it i} is the |
| 131 |
|
minimum energy crystal structure for the single point water models |
