Input information for AMPLIMODES for FullProf: high-symmetry phase information (virtual prototype structure), low-symmetry structure information and transformation matrix. Amm2 (ITA No.38), R 3 c (ITA No.161), P4mm (ITA No.99) and P m \overline{3} m (ITA No.221). Structures are given in the Server format, ready to be used.
| High-symmetry structure | |||||
|---|---|---|---|---|---|
| 221 | |||||
| 3.95513 .95513 .955190 .0090 .0090 .00 | |||||
| 3 | |||||
| \mathrm{Na} / \mathrm{Ka} \quad 1 \quad 1 a \quad 0 \quad 0 \quad 0 | |||||
| \begin{array}{ll}\mathrm{Nb} & 1\end{array} 1 b \frac{1 / 2}{1 / 2} 1 / 2 | |||||
| O 13 c 1 / 21 / 2 | |||||
| Low-symmetry structure | Low-symmetry structure | Low-symmetry structure | |||
| 161 | 038 | 099 | |||
| 5.61355 .613513 .750490 .0090 .00120 .00 | 3.95515 .65735 .671790 .0090 .0090 .00 | 3.95513 .95514 .021090 .0090 .0090 .00 | |||
| Transformation matrix | Transformation matrix | Transformation matrix | |||
| \left(\begin{array}{rrr\ | r}-1 & 0 & 2 & 0 \\ 1 & -1 & 2 & 0 \\ 0 & 1 & 2 & 0\end{array}\right) | \left(\begin{array}{ccc\ | c}0 & 1 & 1 & 0 \\ 0 & -1 & 1 & 0 \\ 1 & 0 & 0 & 0\end{array}\right) | \left(\begin{array}{lll\ | l}1 & 0 & 0 & 0 \\ 0 & 1 & 0 & 0 \\ 0 & 0 & 1 & 0\end{array}\right) |