FeNNi Structure: ABC_tP3_123_c_a_b-001
| Prototype | FeNNi |
| AFLOW prototype label | ABC_tP3_123_c_a_b-001 |
| ICSD | 53505 |
| Pearson symbol | tP3 |
| Space group number | 123 |
| Space group symbol | $P4/mmm$ |
| AFLOW prototype command |
aflow --proto=ABC_tP3_123_c_a_b-001
--params=$a, \allowbreak c/a$ |
- The structure is inferred from comments made in (Arnott, 1960).
\[ \begin{array}{ccc}
\mathbf{a_{1}}&=&a \,\mathbf{\hat{x}}\\\mathbf{a_{2}}&=&a \,\mathbf{\hat{y}}\\\mathbf{a_{3}}&=&c \,\mathbf{\hat{z}}
\end{array}\]
Basis vectors
| Lattice coordinates | Cartesian coordinates | Wyckoff position | Atom type | |||
|---|---|---|---|---|---|---|
| $\mathbf{B_{1}}$ | = | $0$ | = | $0$ | (1a) | N I |
| $\mathbf{B_{2}}$ | = | $\frac{1}{2} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}c \,\mathbf{\hat{z}}$ | (1b) | Ni I |
| $\mathbf{B_{3}}$ | = | $\frac{1}{2} \, \mathbf{a}_{1}+\frac{1}{2} \, \mathbf{a}_{2}$ | = | $\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{2}a \,\mathbf{\hat{y}}$ | (1c) | Fe I |
References
- R. J. Arnott and A. Wold, The preparation and crystallography of FeNiN and the series Fe$_{4-x}$Ni$_{x}$N, J. Phys.: Conf. Ser. 15, 152–156 (1960), doi:10.1016/0022-3697(60)90113-X.
Found in
- A. Jain, S. Ping, G. Hautier, W. Chen, W. D. Richards, S. Dacek, S. Cholia, D. Gunter, D. Skinner, G. Ceder, and K. A. Persson, Commentary: The Materials Project: A materials genome approach to accelerating materials innovation, APL Materials 1, 011002 (2013), doi:10.1063/1.4812323.
Prototype Generator
aflow --proto=ABC_tP3_123_c_a_b --params=$a,c/a$