Gwihabaite (NH$_{4}$NO$_{3}$ V) Structure: A4B2C3_tP72_77_8d_ab2c2d_6d-001
| Prototype | H$_{4}$N$_{2}$O$_{3}$ |
| AFLOW prototype label | A4B2C3_tP72_77_8d_ab2c2d_6d-001 |
| Mineral name | gwihabaite |
| ICSD | 27453 |
| Pearson symbol | tP72 |
| Space group number | 77 |
| Space group symbol | $P4_2$ |
| AFLOW prototype command |
aflow --proto=A4B2C3_tP72_77_8d_ab2c2d_6d-001
--params=$a, \allowbreak c/a, \allowbreak z_{1}, \allowbreak z_{2}, \allowbreak z_{3}, \allowbreak z_{4}, \allowbreak x_{5}, \allowbreak y_{5}, \allowbreak z_{5}, \allowbreak x_{6}, \allowbreak y_{6}, \allowbreak z_{6}, \allowbreak x_{7}, \allowbreak y_{7}, \allowbreak z_{7}, \allowbreak x_{8}, \allowbreak y_{8}, \allowbreak z_{8}, \allowbreak x_{9}, \allowbreak y_{9}, \allowbreak z_{9}, \allowbreak x_{10}, \allowbreak y_{10}, \allowbreak z_{10}, \allowbreak x_{11}, \allowbreak y_{11}, \allowbreak z_{11}, \allowbreak x_{12}, \allowbreak y_{12}, \allowbreak z_{12}, \allowbreak x_{13}, \allowbreak y_{13}, \allowbreak z_{13}, \allowbreak x_{14}, \allowbreak y_{14}, \allowbreak z_{14}, \allowbreak x_{15}, \allowbreak y_{15}, \allowbreak z_{15}, \allowbreak x_{16}, \allowbreak y_{16}, \allowbreak z_{16}, \allowbreak x_{17}, \allowbreak y_{17}, \allowbreak z_{17}, \allowbreak x_{18}, \allowbreak y_{18}, \allowbreak z_{18}, \allowbreak x_{19}, \allowbreak y_{19}, \allowbreak z_{19}, \allowbreak x_{20}, \allowbreak y_{20}, \allowbreak z_{20}$ |
- Ammonium nitrate exists in a variety of forms, (Hermann, 1937) depending on the temperature:
Phase Temperature °C Strukturbericht Page I 125 - 170 $G0_{8}$ AB_cP2_221_a_b-001 II 84 - 125 $G0_{9}$ ABC3_tP10_100_b_a_bc-001 III 32 - 84 $G0_{10}$ ABC3_oP20_62_c_c_cd-002 IV -18 - 32 $G0_{11}$ A4B2C3_oP18_59_ef_ab_af-001 V $< -18$ A4B2C3_tP72_77_8d_ab2c2d_6d2-001 (this structure)
- Data for this structure was taken at 150°C.
\[ \begin{array}{ccc}
\mathbf{a_{1}}&=&a \,\mathbf{\hat{x}}\\\mathbf{a_{2}}&=&a \,\mathbf{\hat{y}}\\\mathbf{a_{3}}&=&c \,\mathbf{\hat{z}}
\end{array}\]
Basis vectors
| Lattice coordinates | Cartesian coordinates | Wyckoff position | Atom type | |||
|---|---|---|---|---|---|---|
| $\mathbf{B_{1}}$ | = | $z_{1} \, \mathbf{a}_{3}$ | = | $c z_{1} \,\mathbf{\hat{z}}$ | (2a) | N I |
| $\mathbf{B_{2}}$ | = | $\left(z_{1} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $c \left(z_{1} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (2a) | N I |
| $\mathbf{B_{3}}$ | = | $\frac{1}{2} \, \mathbf{a}_{1}+\frac{1}{2} \, \mathbf{a}_{2}+z_{2} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{2}a \,\mathbf{\hat{y}}+c z_{2} \,\mathbf{\hat{z}}$ | (2b) | N II |
| $\mathbf{B_{4}}$ | = | $\frac{1}{2} \, \mathbf{a}_{1}+\frac{1}{2} \, \mathbf{a}_{2}+\left(z_{2} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{2}a \,\mathbf{\hat{y}}+c \left(z_{2} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (2b) | N II |
| $\mathbf{B_{5}}$ | = | $\frac{1}{2} \, \mathbf{a}_{2}+z_{3} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{y}}+c z_{3} \,\mathbf{\hat{z}}$ | (2c) | N III |
| $\mathbf{B_{6}}$ | = | $\frac{1}{2} \, \mathbf{a}_{1}+\left(z_{3} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{x}}+c \left(z_{3} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (2c) | N III |
| $\mathbf{B_{7}}$ | = | $\frac{1}{2} \, \mathbf{a}_{2}+z_{4} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{y}}+c z_{4} \,\mathbf{\hat{z}}$ | (2c) | N IV |
| $\mathbf{B_{8}}$ | = | $\frac{1}{2} \, \mathbf{a}_{1}+\left(z_{4} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{x}}+c \left(z_{4} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (2c) | N IV |
| $\mathbf{B_{9}}$ | = | $x_{5} \, \mathbf{a}_{1}+y_{5} \, \mathbf{a}_{2}+z_{5} \, \mathbf{a}_{3}$ | = | $a x_{5} \,\mathbf{\hat{x}}+a y_{5} \,\mathbf{\hat{y}}+c z_{5} \,\mathbf{\hat{z}}$ | (4d) | H I |
| $\mathbf{B_{10}}$ | = | $- x_{5} \, \mathbf{a}_{1}- y_{5} \, \mathbf{a}_{2}+z_{5} \, \mathbf{a}_{3}$ | = | $- a x_{5} \,\mathbf{\hat{x}}- a y_{5} \,\mathbf{\hat{y}}+c z_{5} \,\mathbf{\hat{z}}$ | (4d) | H I |
| $\mathbf{B_{11}}$ | = | $- y_{5} \, \mathbf{a}_{1}+x_{5} \, \mathbf{a}_{2}+\left(z_{5} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- a y_{5} \,\mathbf{\hat{x}}+a x_{5} \,\mathbf{\hat{y}}+c \left(z_{5} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (4d) | H I |
| $\mathbf{B_{12}}$ | = | $y_{5} \, \mathbf{a}_{1}- x_{5} \, \mathbf{a}_{2}+\left(z_{5} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $a y_{5} \,\mathbf{\hat{x}}- a x_{5} \,\mathbf{\hat{y}}+c \left(z_{5} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (4d) | H I |
| $\mathbf{B_{13}}$ | = | $x_{6} \, \mathbf{a}_{1}+y_{6} \, \mathbf{a}_{2}+z_{6} \, \mathbf{a}_{3}$ | = | $a x_{6} \,\mathbf{\hat{x}}+a y_{6} \,\mathbf{\hat{y}}+c z_{6} \,\mathbf{\hat{z}}$ | (4d) | H II |
| $\mathbf{B_{14}}$ | = | $- x_{6} \, \mathbf{a}_{1}- y_{6} \, \mathbf{a}_{2}+z_{6} \, \mathbf{a}_{3}$ | = | $- a x_{6} \,\mathbf{\hat{x}}- a y_{6} \,\mathbf{\hat{y}}+c z_{6} \,\mathbf{\hat{z}}$ | (4d) | H II |
| $\mathbf{B_{15}}$ | = | $- y_{6} \, \mathbf{a}_{1}+x_{6} \, \mathbf{a}_{2}+\left(z_{6} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- a y_{6} \,\mathbf{\hat{x}}+a x_{6} \,\mathbf{\hat{y}}+c \left(z_{6} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (4d) | H II |
| $\mathbf{B_{16}}$ | = | $y_{6} \, \mathbf{a}_{1}- x_{6} \, \mathbf{a}_{2}+\left(z_{6} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $a y_{6} \,\mathbf{\hat{x}}- a x_{6} \,\mathbf{\hat{y}}+c \left(z_{6} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (4d) | H II |
| $\mathbf{B_{17}}$ | = | $x_{7} \, \mathbf{a}_{1}+y_{7} \, \mathbf{a}_{2}+z_{7} \, \mathbf{a}_{3}$ | = | $a x_{7} \,\mathbf{\hat{x}}+a y_{7} \,\mathbf{\hat{y}}+c z_{7} \,\mathbf{\hat{z}}$ | (4d) | H III |
| $\mathbf{B_{18}}$ | = | $- x_{7} \, \mathbf{a}_{1}- y_{7} \, \mathbf{a}_{2}+z_{7} \, \mathbf{a}_{3}$ | = | $- a x_{7} \,\mathbf{\hat{x}}- a y_{7} \,\mathbf{\hat{y}}+c z_{7} \,\mathbf{\hat{z}}$ | (4d) | H III |
| $\mathbf{B_{19}}$ | = | $- y_{7} \, \mathbf{a}_{1}+x_{7} \, \mathbf{a}_{2}+\left(z_{7} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- a y_{7} \,\mathbf{\hat{x}}+a x_{7} \,\mathbf{\hat{y}}+c \left(z_{7} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (4d) | H III |
| $\mathbf{B_{20}}$ | = | $y_{7} \, \mathbf{a}_{1}- x_{7} \, \mathbf{a}_{2}+\left(z_{7} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $a y_{7} \,\mathbf{\hat{x}}- a x_{7} \,\mathbf{\hat{y}}+c \left(z_{7} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (4d) | H III |
| $\mathbf{B_{21}}$ | = | $x_{8} \, \mathbf{a}_{1}+y_{8} \, \mathbf{a}_{2}+z_{8} \, \mathbf{a}_{3}$ | = | $a x_{8} \,\mathbf{\hat{x}}+a y_{8} \,\mathbf{\hat{y}}+c z_{8} \,\mathbf{\hat{z}}$ | (4d) | H IV |
| $\mathbf{B_{22}}$ | = | $- x_{8} \, \mathbf{a}_{1}- y_{8} \, \mathbf{a}_{2}+z_{8} \, \mathbf{a}_{3}$ | = | $- a x_{8} \,\mathbf{\hat{x}}- a y_{8} \,\mathbf{\hat{y}}+c z_{8} \,\mathbf{\hat{z}}$ | (4d) | H IV |
| $\mathbf{B_{23}}$ | = | $- y_{8} \, \mathbf{a}_{1}+x_{8} \, \mathbf{a}_{2}+\left(z_{8} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- a y_{8} \,\mathbf{\hat{x}}+a x_{8} \,\mathbf{\hat{y}}+c \left(z_{8} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (4d) | H IV |
| $\mathbf{B_{24}}$ | = | $y_{8} \, \mathbf{a}_{1}- x_{8} \, \mathbf{a}_{2}+\left(z_{8} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $a y_{8} \,\mathbf{\hat{x}}- a x_{8} \,\mathbf{\hat{y}}+c \left(z_{8} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (4d) | H IV |
| $\mathbf{B_{25}}$ | = | $x_{9} \, \mathbf{a}_{1}+y_{9} \, \mathbf{a}_{2}+z_{9} \, \mathbf{a}_{3}$ | = | $a x_{9} \,\mathbf{\hat{x}}+a y_{9} \,\mathbf{\hat{y}}+c z_{9} \,\mathbf{\hat{z}}$ | (4d) | H V |
| $\mathbf{B_{26}}$ | = | $- x_{9} \, \mathbf{a}_{1}- y_{9} \, \mathbf{a}_{2}+z_{9} \, \mathbf{a}_{3}$ | = | $- a x_{9} \,\mathbf{\hat{x}}- a y_{9} \,\mathbf{\hat{y}}+c z_{9} \,\mathbf{\hat{z}}$ | (4d) | H V |
| $\mathbf{B_{27}}$ | = | $- y_{9} \, \mathbf{a}_{1}+x_{9} \, \mathbf{a}_{2}+\left(z_{9} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- a y_{9} \,\mathbf{\hat{x}}+a x_{9} \,\mathbf{\hat{y}}+c \left(z_{9} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (4d) | H V |
| $\mathbf{B_{28}}$ | = | $y_{9} \, \mathbf{a}_{1}- x_{9} \, \mathbf{a}_{2}+\left(z_{9} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $a y_{9} \,\mathbf{\hat{x}}- a x_{9} \,\mathbf{\hat{y}}+c \left(z_{9} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (4d) | H V |
| $\mathbf{B_{29}}$ | = | $x_{10} \, \mathbf{a}_{1}+y_{10} \, \mathbf{a}_{2}+z_{10} \, \mathbf{a}_{3}$ | = | $a x_{10} \,\mathbf{\hat{x}}+a y_{10} \,\mathbf{\hat{y}}+c z_{10} \,\mathbf{\hat{z}}$ | (4d) | H VI |
| $\mathbf{B_{30}}$ | = | $- x_{10} \, \mathbf{a}_{1}- y_{10} \, \mathbf{a}_{2}+z_{10} \, \mathbf{a}_{3}$ | = | $- a x_{10} \,\mathbf{\hat{x}}- a y_{10} \,\mathbf{\hat{y}}+c z_{10} \,\mathbf{\hat{z}}$ | (4d) | H VI |
| $\mathbf{B_{31}}$ | = | $- y_{10} \, \mathbf{a}_{1}+x_{10} \, \mathbf{a}_{2}+\left(z_{10} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- a y_{10} \,\mathbf{\hat{x}}+a x_{10} \,\mathbf{\hat{y}}+c \left(z_{10} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (4d) | H VI |
| $\mathbf{B_{32}}$ | = | $y_{10} \, \mathbf{a}_{1}- x_{10} \, \mathbf{a}_{2}+\left(z_{10} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $a y_{10} \,\mathbf{\hat{x}}- a x_{10} \,\mathbf{\hat{y}}+c \left(z_{10} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (4d) | H VI |
| $\mathbf{B_{33}}$ | = | $x_{11} \, \mathbf{a}_{1}+y_{11} \, \mathbf{a}_{2}+z_{11} \, \mathbf{a}_{3}$ | = | $a x_{11} \,\mathbf{\hat{x}}+a y_{11} \,\mathbf{\hat{y}}+c z_{11} \,\mathbf{\hat{z}}$ | (4d) | H VII |
| $\mathbf{B_{34}}$ | = | $- x_{11} \, \mathbf{a}_{1}- y_{11} \, \mathbf{a}_{2}+z_{11} \, \mathbf{a}_{3}$ | = | $- a x_{11} \,\mathbf{\hat{x}}- a y_{11} \,\mathbf{\hat{y}}+c z_{11} \,\mathbf{\hat{z}}$ | (4d) | H VII |
| $\mathbf{B_{35}}$ | = | $- y_{11} \, \mathbf{a}_{1}+x_{11} \, \mathbf{a}_{2}+\left(z_{11} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- a y_{11} \,\mathbf{\hat{x}}+a x_{11} \,\mathbf{\hat{y}}+c \left(z_{11} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (4d) | H VII |
| $\mathbf{B_{36}}$ | = | $y_{11} \, \mathbf{a}_{1}- x_{11} \, \mathbf{a}_{2}+\left(z_{11} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $a y_{11} \,\mathbf{\hat{x}}- a x_{11} \,\mathbf{\hat{y}}+c \left(z_{11} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (4d) | H VII |
| $\mathbf{B_{37}}$ | = | $x_{12} \, \mathbf{a}_{1}+y_{12} \, \mathbf{a}_{2}+z_{12} \, \mathbf{a}_{3}$ | = | $a x_{12} \,\mathbf{\hat{x}}+a y_{12} \,\mathbf{\hat{y}}+c z_{12} \,\mathbf{\hat{z}}$ | (4d) | H VIII |
| $\mathbf{B_{38}}$ | = | $- x_{12} \, \mathbf{a}_{1}- y_{12} \, \mathbf{a}_{2}+z_{12} \, \mathbf{a}_{3}$ | = | $- a x_{12} \,\mathbf{\hat{x}}- a y_{12} \,\mathbf{\hat{y}}+c z_{12} \,\mathbf{\hat{z}}$ | (4d) | H VIII |
| $\mathbf{B_{39}}$ | = | $- y_{12} \, \mathbf{a}_{1}+x_{12} \, \mathbf{a}_{2}+\left(z_{12} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- a y_{12} \,\mathbf{\hat{x}}+a x_{12} \,\mathbf{\hat{y}}+c \left(z_{12} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (4d) | H VIII |
| $\mathbf{B_{40}}$ | = | $y_{12} \, \mathbf{a}_{1}- x_{12} \, \mathbf{a}_{2}+\left(z_{12} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $a y_{12} \,\mathbf{\hat{x}}- a x_{12} \,\mathbf{\hat{y}}+c \left(z_{12} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (4d) | H VIII |
| $\mathbf{B_{41}}$ | = | $x_{13} \, \mathbf{a}_{1}+y_{13} \, \mathbf{a}_{2}+z_{13} \, \mathbf{a}_{3}$ | = | $a x_{13} \,\mathbf{\hat{x}}+a y_{13} \,\mathbf{\hat{y}}+c z_{13} \,\mathbf{\hat{z}}$ | (4d) | N V |
| $\mathbf{B_{42}}$ | = | $- x_{13} \, \mathbf{a}_{1}- y_{13} \, \mathbf{a}_{2}+z_{13} \, \mathbf{a}_{3}$ | = | $- a x_{13} \,\mathbf{\hat{x}}- a y_{13} \,\mathbf{\hat{y}}+c z_{13} \,\mathbf{\hat{z}}$ | (4d) | N V |
| $\mathbf{B_{43}}$ | = | $- y_{13} \, \mathbf{a}_{1}+x_{13} \, \mathbf{a}_{2}+\left(z_{13} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- a y_{13} \,\mathbf{\hat{x}}+a x_{13} \,\mathbf{\hat{y}}+c \left(z_{13} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (4d) | N V |
| $\mathbf{B_{44}}$ | = | $y_{13} \, \mathbf{a}_{1}- x_{13} \, \mathbf{a}_{2}+\left(z_{13} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $a y_{13} \,\mathbf{\hat{x}}- a x_{13} \,\mathbf{\hat{y}}+c \left(z_{13} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (4d) | N V |
| $\mathbf{B_{45}}$ | = | $x_{14} \, \mathbf{a}_{1}+y_{14} \, \mathbf{a}_{2}+z_{14} \, \mathbf{a}_{3}$ | = | $a x_{14} \,\mathbf{\hat{x}}+a y_{14} \,\mathbf{\hat{y}}+c z_{14} \,\mathbf{\hat{z}}$ | (4d) | N VI |
| $\mathbf{B_{46}}$ | = | $- x_{14} \, \mathbf{a}_{1}- y_{14} \, \mathbf{a}_{2}+z_{14} \, \mathbf{a}_{3}$ | = | $- a x_{14} \,\mathbf{\hat{x}}- a y_{14} \,\mathbf{\hat{y}}+c z_{14} \,\mathbf{\hat{z}}$ | (4d) | N VI |
| $\mathbf{B_{47}}$ | = | $- y_{14} \, \mathbf{a}_{1}+x_{14} \, \mathbf{a}_{2}+\left(z_{14} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- a y_{14} \,\mathbf{\hat{x}}+a x_{14} \,\mathbf{\hat{y}}+c \left(z_{14} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (4d) | N VI |
| $\mathbf{B_{48}}$ | = | $y_{14} \, \mathbf{a}_{1}- x_{14} \, \mathbf{a}_{2}+\left(z_{14} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $a y_{14} \,\mathbf{\hat{x}}- a x_{14} \,\mathbf{\hat{y}}+c \left(z_{14} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (4d) | N VI |
| $\mathbf{B_{49}}$ | = | $x_{15} \, \mathbf{a}_{1}+y_{15} \, \mathbf{a}_{2}+z_{15} \, \mathbf{a}_{3}$ | = | $a x_{15} \,\mathbf{\hat{x}}+a y_{15} \,\mathbf{\hat{y}}+c z_{15} \,\mathbf{\hat{z}}$ | (4d) | O I |
| $\mathbf{B_{50}}$ | = | $- x_{15} \, \mathbf{a}_{1}- y_{15} \, \mathbf{a}_{2}+z_{15} \, \mathbf{a}_{3}$ | = | $- a x_{15} \,\mathbf{\hat{x}}- a y_{15} \,\mathbf{\hat{y}}+c z_{15} \,\mathbf{\hat{z}}$ | (4d) | O I |
| $\mathbf{B_{51}}$ | = | $- y_{15} \, \mathbf{a}_{1}+x_{15} \, \mathbf{a}_{2}+\left(z_{15} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- a y_{15} \,\mathbf{\hat{x}}+a x_{15} \,\mathbf{\hat{y}}+c \left(z_{15} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (4d) | O I |
| $\mathbf{B_{52}}$ | = | $y_{15} \, \mathbf{a}_{1}- x_{15} \, \mathbf{a}_{2}+\left(z_{15} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $a y_{15} \,\mathbf{\hat{x}}- a x_{15} \,\mathbf{\hat{y}}+c \left(z_{15} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (4d) | O I |
| $\mathbf{B_{53}}$ | = | $x_{16} \, \mathbf{a}_{1}+y_{16} \, \mathbf{a}_{2}+z_{16} \, \mathbf{a}_{3}$ | = | $a x_{16} \,\mathbf{\hat{x}}+a y_{16} \,\mathbf{\hat{y}}+c z_{16} \,\mathbf{\hat{z}}$ | (4d) | O II |
| $\mathbf{B_{54}}$ | = | $- x_{16} \, \mathbf{a}_{1}- y_{16} \, \mathbf{a}_{2}+z_{16} \, \mathbf{a}_{3}$ | = | $- a x_{16} \,\mathbf{\hat{x}}- a y_{16} \,\mathbf{\hat{y}}+c z_{16} \,\mathbf{\hat{z}}$ | (4d) | O II |
| $\mathbf{B_{55}}$ | = | $- y_{16} \, \mathbf{a}_{1}+x_{16} \, \mathbf{a}_{2}+\left(z_{16} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- a y_{16} \,\mathbf{\hat{x}}+a x_{16} \,\mathbf{\hat{y}}+c \left(z_{16} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (4d) | O II |
| $\mathbf{B_{56}}$ | = | $y_{16} \, \mathbf{a}_{1}- x_{16} \, \mathbf{a}_{2}+\left(z_{16} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $a y_{16} \,\mathbf{\hat{x}}- a x_{16} \,\mathbf{\hat{y}}+c \left(z_{16} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (4d) | O II |
| $\mathbf{B_{57}}$ | = | $x_{17} \, \mathbf{a}_{1}+y_{17} \, \mathbf{a}_{2}+z_{17} \, \mathbf{a}_{3}$ | = | $a x_{17} \,\mathbf{\hat{x}}+a y_{17} \,\mathbf{\hat{y}}+c z_{17} \,\mathbf{\hat{z}}$ | (4d) | O III |
| $\mathbf{B_{58}}$ | = | $- x_{17} \, \mathbf{a}_{1}- y_{17} \, \mathbf{a}_{2}+z_{17} \, \mathbf{a}_{3}$ | = | $- a x_{17} \,\mathbf{\hat{x}}- a y_{17} \,\mathbf{\hat{y}}+c z_{17} \,\mathbf{\hat{z}}$ | (4d) | O III |
| $\mathbf{B_{59}}$ | = | $- y_{17} \, \mathbf{a}_{1}+x_{17} \, \mathbf{a}_{2}+\left(z_{17} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- a y_{17} \,\mathbf{\hat{x}}+a x_{17} \,\mathbf{\hat{y}}+c \left(z_{17} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (4d) | O III |
| $\mathbf{B_{60}}$ | = | $y_{17} \, \mathbf{a}_{1}- x_{17} \, \mathbf{a}_{2}+\left(z_{17} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $a y_{17} \,\mathbf{\hat{x}}- a x_{17} \,\mathbf{\hat{y}}+c \left(z_{17} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (4d) | O III |
| $\mathbf{B_{61}}$ | = | $x_{18} \, \mathbf{a}_{1}+y_{18} \, \mathbf{a}_{2}+z_{18} \, \mathbf{a}_{3}$ | = | $a x_{18} \,\mathbf{\hat{x}}+a y_{18} \,\mathbf{\hat{y}}+c z_{18} \,\mathbf{\hat{z}}$ | (4d) | O IV |
| $\mathbf{B_{62}}$ | = | $- x_{18} \, \mathbf{a}_{1}- y_{18} \, \mathbf{a}_{2}+z_{18} \, \mathbf{a}_{3}$ | = | $- a x_{18} \,\mathbf{\hat{x}}- a y_{18} \,\mathbf{\hat{y}}+c z_{18} \,\mathbf{\hat{z}}$ | (4d) | O IV |
| $\mathbf{B_{63}}$ | = | $- y_{18} \, \mathbf{a}_{1}+x_{18} \, \mathbf{a}_{2}+\left(z_{18} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- a y_{18} \,\mathbf{\hat{x}}+a x_{18} \,\mathbf{\hat{y}}+c \left(z_{18} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (4d) | O IV |
| $\mathbf{B_{64}}$ | = | $y_{18} \, \mathbf{a}_{1}- x_{18} \, \mathbf{a}_{2}+\left(z_{18} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $a y_{18} \,\mathbf{\hat{x}}- a x_{18} \,\mathbf{\hat{y}}+c \left(z_{18} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (4d) | O IV |
| $\mathbf{B_{65}}$ | = | $x_{19} \, \mathbf{a}_{1}+y_{19} \, \mathbf{a}_{2}+z_{19} \, \mathbf{a}_{3}$ | = | $a x_{19} \,\mathbf{\hat{x}}+a y_{19} \,\mathbf{\hat{y}}+c z_{19} \,\mathbf{\hat{z}}$ | (4d) | O V |
| $\mathbf{B_{66}}$ | = | $- x_{19} \, \mathbf{a}_{1}- y_{19} \, \mathbf{a}_{2}+z_{19} \, \mathbf{a}_{3}$ | = | $- a x_{19} \,\mathbf{\hat{x}}- a y_{19} \,\mathbf{\hat{y}}+c z_{19} \,\mathbf{\hat{z}}$ | (4d) | O V |
| $\mathbf{B_{67}}$ | = | $- y_{19} \, \mathbf{a}_{1}+x_{19} \, \mathbf{a}_{2}+\left(z_{19} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- a y_{19} \,\mathbf{\hat{x}}+a x_{19} \,\mathbf{\hat{y}}+c \left(z_{19} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (4d) | O V |
| $\mathbf{B_{68}}$ | = | $y_{19} \, \mathbf{a}_{1}- x_{19} \, \mathbf{a}_{2}+\left(z_{19} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $a y_{19} \,\mathbf{\hat{x}}- a x_{19} \,\mathbf{\hat{y}}+c \left(z_{19} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (4d) | O V |
| $\mathbf{B_{69}}$ | = | $x_{20} \, \mathbf{a}_{1}+y_{20} \, \mathbf{a}_{2}+z_{20} \, \mathbf{a}_{3}$ | = | $a x_{20} \,\mathbf{\hat{x}}+a y_{20} \,\mathbf{\hat{y}}+c z_{20} \,\mathbf{\hat{z}}$ | (4d) | O VI |
| $\mathbf{B_{70}}$ | = | $- x_{20} \, \mathbf{a}_{1}- y_{20} \, \mathbf{a}_{2}+z_{20} \, \mathbf{a}_{3}$ | = | $- a x_{20} \,\mathbf{\hat{x}}- a y_{20} \,\mathbf{\hat{y}}+c z_{20} \,\mathbf{\hat{z}}$ | (4d) | O VI |
| $\mathbf{B_{71}}$ | = | $- y_{20} \, \mathbf{a}_{1}+x_{20} \, \mathbf{a}_{2}+\left(z_{20} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- a y_{20} \,\mathbf{\hat{x}}+a x_{20} \,\mathbf{\hat{y}}+c \left(z_{20} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (4d) | O VI |
| $\mathbf{B_{72}}$ | = | $y_{20} \, \mathbf{a}_{1}- x_{20} \, \mathbf{a}_{2}+\left(z_{20} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $a y_{20} \,\mathbf{\hat{x}}- a x_{20} \,\mathbf{\hat{y}}+c \left(z_{20} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (4d) | O VI |
References
- J. L. Amorós, F. Arrese, and M. Canut, The crystal structure of the low-temperature phase of NH$_{4}$NO$_{3}$ (V) at – 150$^\circ$C, Z. Kristallogr. 117, 92–107 (1962), doi:10.1524/zkri.1962.117.2-3.92.
- C. Hermann, O. Lohrmann, and H. Philipp, eds., Strukturbericht Band II 1928-1932 (Akademische Verlagsgesellschaft M. B. H., Leipzig, 1937).
Found in
- R. T. Downs and M. Hall-Wallace, The American Mineralogist Crystal Structure Database, Am. Mineral. 88, 247–250 (2003).
Prototype Generator
aflow --proto=A4B2C3_tP72_77_8d_ab2c2d_6d --params=$a,c/a,z_{1},z_{2},z_{3},z_{4},x_{5},y_{5},z_{5},x_{6},y_{6},z_{6},x_{7},y_{7},z_{7},x_{8},y_{8},z_{8},x_{9},y_{9},z_{9},x_{10},y_{10},z_{10},x_{11},y_{11},z_{11},x_{12},y_{12},z_{12},x_{13},y_{13},z_{13},x_{14},y_{14},z_{14},x_{15},y_{15},z_{15},x_{16},y_{16},z_{16},x_{17},y_{17},z_{17},x_{18},y_{18},z_{18},x_{19},y_{19},z_{19},x_{20},y_{20},z_{20}$