tr>
<td></td>
<td><tt>alpha=90</tt></td>
<td><tt>beta=90</tt></td>
<td><tt>gamma=90</tt></td>
</tr>
<tr>
<td><tt>Temperature: </td>
<td><tt>102 K</tt></td>
<td><tt></tt></td>
<td><tt></tt></td>
</tr>
</table><table width="650" cellpadding="0">
<tr>
<td width="15%"><tt></tt></td>
<td width="25%"><tt>Calculated</tt></td>
<td width="25%"><tt>Reported</tt></td>
</tr>
<tr>
<td><tt>Volume</tt></td>
<td><tt>3476.6(6)
</tt></td>
<td><tt>3476.6(7)</tt></td>
</tr>
<tr>
<td><tt>Space group</tt></td>
<td><tt>P 21 21 2 