Ni$_{4}$Mo ($D1_{a}$) Structure: AB4_tI10_87_a_h-001
| Prototype | MoNi$_{4}$ |
| AFLOW prototype label | AB4_tI10_87_a_h-001 |
| Strukturbericht designation | $D1_{a}$ |
| ICSD | 105047 |
| Pearson symbol | tI10 |
| Space group number | 87 |
| Space group symbol | $I4/m$ |
| AFLOW prototype command |
aflow --proto=AB4_tI10_87_a_h-001
--params=$a, \allowbreak c/a, \allowbreak x_{2}, \allowbreak y_{2}$ |
Other compounds with this structure
Ag$_{4}$Lu, Ag$_{4}$Sc, Au$_{4}$Cr, Au$_{4}$Er, Au$_{4}$Ho, Au$_{4}$Lu, Au$_{4}$Mn, Au$_{4}$Ti, Au$_{4}$V, Au$_{4}$Yb, Ni$_{4}$W
\[ \begin{array}{ccc}
\mathbf{a_{1}}&=&- \frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{2}a \,\mathbf{\hat{y}}+\frac{1}{2}c \,\mathbf{\hat{z}}\\\mathbf{a_{2}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}- \frac{1}{2}a \,\mathbf{\hat{y}}+\frac{1}{2}c \,\mathbf{\hat{z}}\\\mathbf{a_{3}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{2}a \,\mathbf{\hat{y}}- \frac{1}{2}c \,\mathbf{\hat{z}}
\end{array}\]
Basis vectors
| Lattice coordinates | Cartesian coordinates | Wyckoff position | Atom type | |||
|---|---|---|---|---|---|---|
| $\mathbf{B_{1}}$ | = | $0$ | = | $0$ | (2a) | Mo I |
| $\mathbf{B_{2}}$ | = | $y_{2} \, \mathbf{a}_{1}+x_{2} \, \mathbf{a}_{2}+\left(x_{2} + y_{2}\right) \, \mathbf{a}_{3}$ | = | $a x_{2} \,\mathbf{\hat{x}}+a y_{2} \,\mathbf{\hat{y}}$ | (8h) | Ni I |
| $\mathbf{B_{3}}$ | = | $- y_{2} \, \mathbf{a}_{1}- x_{2} \, \mathbf{a}_{2}- \left(x_{2} + y_{2}\right) \, \mathbf{a}_{3}$ | = | $- a x_{2} \,\mathbf{\hat{x}}- a y_{2} \,\mathbf{\hat{y}}$ | (8h) | Ni I |
| $\mathbf{B_{4}}$ | = | $x_{2} \, \mathbf{a}_{1}- y_{2} \, \mathbf{a}_{2}+\left(x_{2} - y_{2}\right) \, \mathbf{a}_{3}$ | = | $- a y_{2} \,\mathbf{\hat{x}}+a x_{2} \,\mathbf{\hat{y}}$ | (8h) | Ni I |
| $\mathbf{B_{5}}$ | = | $- x_{2} \, \mathbf{a}_{1}+y_{2} \, \mathbf{a}_{2}- \left(x_{2} - y_{2}\right) \, \mathbf{a}_{3}$ | = | $a y_{2} \,\mathbf{\hat{x}}- a x_{2} \,\mathbf{\hat{y}}$ | (8h) | Ni I |
References
- D. Harker, The Crystal Structure of Ni$_4$Mo, J. Chem. Phys. 12, 315 (1944), doi:10.1063/1.1723945.
Prototype Generator
aflow --proto=AB4_tI10_87_a_h --params=$a,c/a,x_{2},y_{2}$