Ni3P ($D0_{e}$) Structure: A3B_tI32_82_3g_g
| Prototype | : | Ni3P |
| AFLOW prototype label | : | A3B_tI32_82_3g_g |
| Strukturbericht designation | : | $D0_{e}$ |
| Pearson symbol | : | tI32 |
| Space group number | : | 82 |
| Space group symbol | : | $I\bar{4}$ |
| AFLOW prototype command | : | aflow --proto=A3B_tI32_82_3g_g --params=$a,c/a,x_{1},y_{1},z_{1},x_{2},y_{2},z_{2},x_{3},y_{3},z_{3},x_{4},y_{4},z_{4}$ |
Other compounds with this structure
- Cr3P, Fe3P, Mn3P, Mo3P, Ti3P, V3P, BFe3
Body-centered Tetragonal primitive vectors:
\[
\begin{array}{ccc}
\mathbf{a}_1 & = & - \frac12 \, a \, \mathbf{\hat{x}} + \frac12 \, a \, \mathbf{\hat{y}} + \frac12 \, c \, \mathbf{\hat{z}} \\
\mathbf{a}_2 & = & ~ \frac12 \, a \, \mathbf{\hat{x}} - \frac12 \, a \, \mathbf{\hat{y}} + \frac12 \, c \, \mathbf{\hat{z}} \\
\mathbf{a}_3 & = & ~ \frac12 \, a \, \mathbf{\hat{x}} + \frac12 \, a \, \mathbf{\hat{y}} - \frac12 \, c \, \mathbf{\hat{z}} \\
\end{array}
\]
Basis vectors:
\[ \begin{array}{ccccccc} & & \mbox{Lattice Coordinates} & & \mbox{Cartesian Coordinates} &\mbox{Wyckoff Position} & \mbox{Atom Type} \\ \mathbf{B}_{1} & = & \left(y_{1}+z_{1}\right) \, \mathbf{a}_{1} + \left(x_{1}+z_{1}\right) \, \mathbf{a}_{2} + \left(x_{1}+y_{1}\right) \, \mathbf{a}_{3} & = & x_{1}a \, \mathbf{\hat{x}} + y_{1}a \, \mathbf{\hat{y}} + z_{1}c \, \mathbf{\hat{z}} & \left(8g\right) & \mbox{Ni I} \\ \mathbf{B}_{2} & = & \left(-y_{1}+z_{1}\right) \, \mathbf{a}_{1} + \left(-x_{1}+z_{1}\right) \, \mathbf{a}_{2} + \left(-x_{1}-y_{1}\right) \, \mathbf{a}_{3} & = & -x_{1}a \, \mathbf{\hat{x}}-y_{1}a \, \mathbf{\hat{y}} + z_{1}c \, \mathbf{\hat{z}} & \left(8g\right) & \mbox{Ni I} \\ \mathbf{B}_{3} & = & \left(-x_{1}-z_{1}\right) \, \mathbf{a}_{1} + \left(y_{1}-z_{1}\right) \, \mathbf{a}_{2} + \left(-x_{1}+y_{1}\right) \, \mathbf{a}_{3} & = & y_{1}a \, \mathbf{\hat{x}}-x_{1}a \, \mathbf{\hat{y}}-z_{1}c \, \mathbf{\hat{z}} & \left(8g\right) & \mbox{Ni I} \\ \mathbf{B}_{4} & = & \left(x_{1}-z_{1}\right) \, \mathbf{a}_{1} + \left(-y_{1}-z_{1}\right) \, \mathbf{a}_{2} + \left(x_{1}-y_{1}\right) \, \mathbf{a}_{3} & = & -y_{1}a \, \mathbf{\hat{x}} + x_{1}a \, \mathbf{\hat{y}}-z_{1}c \, \mathbf{\hat{z}} & \left(8g\right) & \mbox{Ni I} \\ \mathbf{B}_{5} & = & \left(y_{2}+z_{2}\right) \, \mathbf{a}_{1} + \left(x_{2}+z_{2}\right) \, \mathbf{a}_{2} + \left(x_{2}+y_{2}\right) \, \mathbf{a}_{3} & = & x_{2}a \, \mathbf{\hat{x}} + y_{2}a \, \mathbf{\hat{y}} + z_{2}c \, \mathbf{\hat{z}} & \left(8g\right) & \mbox{Ni II} \\ \mathbf{B}_{6} & = & \left(-y_{2}+z_{2}\right) \, \mathbf{a}_{1} + \left(-x_{2}+z_{2}\right) \, \mathbf{a}_{2} + \left(-x_{2}-y_{2}\right) \, \mathbf{a}_{3} & = & -x_{2}a \, \mathbf{\hat{x}}-y_{2}a \, \mathbf{\hat{y}} + z_{2}c \, \mathbf{\hat{z}} & \left(8g\right) & \mbox{Ni II} \\ \mathbf{B}_{7} & = & \left(-x_{2}-z_{2}\right) \, \mathbf{a}_{1} + \left(y_{2}-z_{2}\right) \, \mathbf{a}_{2} + \left(-x_{2}+y_{2}\right) \, \mathbf{a}_{3} & = & y_{2}a \, \mathbf{\hat{x}}-x_{2}a \, \mathbf{\hat{y}}-z_{2}c \, \mathbf{\hat{z}} & \left(8g\right) & \mbox{Ni II} \\ \mathbf{B}_{8} & = & \left(x_{2}-z_{2}\right) \, \mathbf{a}_{1} + \left(-y_{2}-z_{2}\right) \, \mathbf{a}_{2} + \left(x_{2}-y_{2}\right) \, \mathbf{a}_{3} & = & -y_{2}a \, \mathbf{\hat{x}} + x_{2}a \, \mathbf{\hat{y}}-z_{2}c \, \mathbf{\hat{z}} & \left(8g\right) & \mbox{Ni II} \\ \mathbf{B}_{9} & = & \left(y_{3}+z_{3}\right) \, \mathbf{a}_{1} + \left(x_{3}+z_{3}\right) \, \mathbf{a}_{2} + \left(x_{3}+y_{3}\right) \, \mathbf{a}_{3} & = & x_{3}a \, \mathbf{\hat{x}} + y_{3}a \, \mathbf{\hat{y}} + z_{3}c \, \mathbf{\hat{z}} & \left(8g\right) & \mbox{Ni III} \\ \mathbf{B}_{10} & = & \left(-y_{3}+z_{3}\right) \, \mathbf{a}_{1} + \left(-x_{3}+z_{3}\right) \, \mathbf{a}_{2} + \left(-x_{3}-y_{3}\right) \, \mathbf{a}_{3} & = & -x_{3}a \, \mathbf{\hat{x}}-y_{3}a \, \mathbf{\hat{y}} + z_{3}c \, \mathbf{\hat{z}} & \left(8g\right) & \mbox{Ni III} \\ \mathbf{B}_{11} & = & \left(-x_{3}-z_{3}\right) \, \mathbf{a}_{1} + \left(y_{3}-z_{3}\right) \, \mathbf{a}_{2} + \left(-x_{3}+y_{3}\right) \, \mathbf{a}_{3} & = & y_{3}a \, \mathbf{\hat{x}}-x_{3}a \, \mathbf{\hat{y}}-z_{3}c \, \mathbf{\hat{z}} & \left(8g\right) & \mbox{Ni III} \\ \mathbf{B}_{12} & = & \left(x_{3}-z_{3}\right) \, \mathbf{a}_{1} + \left(-y_{3}-z_{3}\right) \, \mathbf{a}_{2} + \left(x_{3}-y_{3}\right) \, \mathbf{a}_{3} & = & -y_{3}a \, \mathbf{\hat{x}} + x_{3}a \, \mathbf{\hat{y}}-z_{3}c \, \mathbf{\hat{z}} & \left(8g\right) & \mbox{Ni III} \\ \mathbf{B}_{13} & = & \left(y_{4}+z_{4}\right) \, \mathbf{a}_{1} + \left(x_{4}+z_{4}\right) \, \mathbf{a}_{2} + \left(x_{4}+y_{4}\right) \, \mathbf{a}_{3} & = & x_{4}a \, \mathbf{\hat{x}} + y_{4}a \, \mathbf{\hat{y}} + z_{4}c \, \mathbf{\hat{z}} & \left(8g\right) & \mbox{P} \\ \mathbf{B}_{14} & = & \left(-y_{4}+z_{4}\right) \, \mathbf{a}_{1} + \left(-x_{4}+z_{4}\right) \, \mathbf{a}_{2} + \left(-x_{4}-y_{4}\right) \, \mathbf{a}_{3} & = & -x_{4}a \, \mathbf{\hat{x}}-y_{4}a \, \mathbf{\hat{y}} + z_{4}c \, \mathbf{\hat{z}} & \left(8g\right) & \mbox{P} \\ \mathbf{B}_{15} & = & \left(-x_{4}-z_{4}\right) \, \mathbf{a}_{1} + \left(y_{4}-z_{4}\right) \, \mathbf{a}_{2} + \left(-x_{4}+y_{4}\right) \, \mathbf{a}_{3} & = & y_{4}a \, \mathbf{\hat{x}}-x_{4}a \, \mathbf{\hat{y}}-z_{4}c \, \mathbf{\hat{z}} & \left(8g\right) & \mbox{P} \\ \mathbf{B}_{16} & = & \left(x_{4}-z_{4}\right) \, \mathbf{a}_{1} + \left(-y_{4}-z_{4}\right) \, \mathbf{a}_{2} + \left(x_{4}-y_{4}\right) \, \mathbf{a}_{3} & = & -y_{4}a \, \mathbf{\hat{x}} + x_{4}a \, \mathbf{\hat{y}}-z_{4}c \, \mathbf{\hat{z}} & \left(8g\right) & \mbox{P} \\ \end{array} \]References
- S. Rundqvist, E. Hassler, and L. Lundvik, Refinement of the Ni3P Structure, Acta Chem. Scand. 16, 242–243 (1962), doi:10.3891/acta.chem.scand.16-0242.