NbO Structure: AB_cP6_221_c_d
| Prototype | : | NbO |
| AFLOW prototype label | : | AB_cP6_221_c_d |
| Strukturbericht designation | : | None |
| Pearson symbol | : | cP6 |
| Space group number | : | 221 |
| Space group symbol | : | $\mbox{Pm}\bar{3}\mbox{m}$ |
| AFLOW prototype command | : | aflow --proto=AB_cP6_221_c_d --params=$a$ |
- This is the NaCl (B1) structure with 25% ordered vacancies on both the Na and Cl sites.
Simple Cubic primitive vectors:
\[
\begin{array}{ccc}
\mathbf{a}_1 & = & a \, \mathbf{\hat{x}} \\
\mathbf{a}_2 & = & a \, \mathbf{\hat{y}} \\
\mathbf{a}_3 & = & a \, \mathbf{\hat{z}}
\end{array}
\]
Basis vectors:
\[ \begin{array}{ccccccc} & & \mbox{Lattice Coordinates} & & \mbox{Cartesian Coordinates} &\mbox{Wyckoff Position} & \mbox{Atom Type} \\ \mathbf{B}_{1} & = &\frac12 \, \mathbf{a}_{2}+ \frac12 \, \mathbf{a}_{3}& = &\frac12 \, a \, \mathbf{\hat{y}}+ \frac12 \, a \, \mathbf{\hat{z}}& \left(3c\right) & \mbox{Nb} \\ \mathbf{B}_{2} & = &\frac12 \, \mathbf{a}_{1}+ \frac12 \, \mathbf{a}_{3}& = &\frac12 \, a \, \mathbf{\hat{x}}+ \frac12 \, a \, \mathbf{\hat{z}}& \left(3c\right) & \mbox{Nb} \\ \mathbf{B}_{3} & = &\frac12 \, \mathbf{a}_{1}+ \frac12 \, \mathbf{a}_{2}& = &\frac12 \, a \, \mathbf{\hat{x}}+ \frac12 \, a \, \mathbf{\hat{y}}& \left(3c\right) & \mbox{Nb} \\ \mathbf{B}_{4} & = &\frac12 \, \mathbf{a}_{1}& = &\frac12 \, a \, \mathbf{\hat{x}}& \left(3d\right) & \mbox{O} \\ \mathbf{B}_{5} & = &\frac12 \, \mathbf{a}_{2}& = &\frac12 \, a \, \mathbf{\hat{y}}& \left(3d\right) & \mbox{O} \\ \mathbf{B}_{6} & = &\frac12 \, \mathbf{a}_{3}& = &\frac12 \, a \, \mathbf{\hat{z}}& \left(3d\right) & \mbox{O} \\ \end{array} \]References
- A. L. Bowman, T. C. Wallace, J. L. Yarnell, and R. G. Wenzel, The crystal structure of niobium monoxide, Acta Cryst. 21, 843 (1966), doi:10.1107/S0365110X66004043.
Found in
- P. Villars and L. Calvert, Pearson's Handbook of Crystallographic Data for Intermetallic Phases (ASM International, Materials Park, OH, 1991), 2nd edn., pp. 4535.