NiMoP$_{2}$ Structure: ABC2_hP8_194_b_a_f-001
| Prototype | MoNiP$_{2}$ |
| AFLOW prototype label | ABC2_hP8_194_b_a_f-001 |
| ICSD | 76283 |
| Pearson symbol | hP8 |
| Space group number | 194 |
| Space group symbol | $P6_3/mmc$ |
| AFLOW prototype command |
aflow --proto=ABC2_hP8_194_b_a_f-001
--params=$a, \allowbreak c/a, \allowbreak z_{3}$ |
Other compounds with this structure
CoMoP$_{2}$, CoWP$_{2}$, NiWP$_{2}$
\[ \begin{array}{ccc}
\mathbf{a_{1}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{2}a \,\mathbf{\hat{y}}\\\mathbf{a_{2}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{2}a \,\mathbf{\hat{y}}\\\mathbf{a_{3}}&=&c \,\mathbf{\hat{z}}
\end{array}\]
Basis vectors
| Lattice coordinates | Cartesian coordinates | Wyckoff position | Atom type | |||
|---|---|---|---|---|---|---|
| $\mathbf{B_{1}}$ | = | $0$ | = | $0$ | (2a) | Ni I |
| $\mathbf{B_{2}}$ | = | $\frac{1}{2} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}c \,\mathbf{\hat{z}}$ | (2a) | Ni I |
| $\mathbf{B_{3}}$ | = | $\frac{1}{4} \, \mathbf{a}_{3}$ | = | $\frac{1}{4}c \,\mathbf{\hat{z}}$ | (2b) | Mn I |
| $\mathbf{B_{4}}$ | = | $\frac{3}{4} \, \mathbf{a}_{3}$ | = | $\frac{3}{4}c \,\mathbf{\hat{z}}$ | (2b) | Mn I |
| $\mathbf{B_{5}}$ | = | $\frac{1}{3} \, \mathbf{a}_{1}+\frac{2}{3} \, \mathbf{a}_{2}+z_{3} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{6}a \,\mathbf{\hat{y}}+c z_{3} \,\mathbf{\hat{z}}$ | (4f) | P I |
| $\mathbf{B_{6}}$ | = | $\frac{2}{3} \, \mathbf{a}_{1}+\frac{1}{3} \, \mathbf{a}_{2}+\left(z_{3} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{6}a \,\mathbf{\hat{y}}+c \left(z_{3} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (4f) | P I |
| $\mathbf{B_{7}}$ | = | $\frac{2}{3} \, \mathbf{a}_{1}+\frac{1}{3} \, \mathbf{a}_{2}- z_{3} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{6}a \,\mathbf{\hat{y}}- c z_{3} \,\mathbf{\hat{z}}$ | (4f) | P I |
| $\mathbf{B_{8}}$ | = | $\frac{1}{3} \, \mathbf{a}_{1}+\frac{2}{3} \, \mathbf{a}_{2}- \left(z_{3} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{6}a \,\mathbf{\hat{y}}- c \left(z_{3} - \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (4f) | P I |
References
- R. Guérin and M. Sergent, Nouveau phosphure ternaire: NiMoP$_{2}$, a chaine linéaire infinie -Mo-Ni-Mo- et composés isotypes: NiWP$_{2}$, CoMoP$_{2}$ et CoWP$_{2}$, J. Solid State Chem. 18, 317–323 (1976), doi:10.1016/0022-4596(76)90113-4.
Prototype Generator
aflow --proto=ABC2_hP8_194_b_a_f --params=$a,c/a,z_{3}$