CrFe3NiSn5 Structure: AB_hP6_183_c_ab
| Prototype | : | CrFe3NiSn5 |
| AFLOW prototype label | : | AB_hP6_183_c_ab |
| Strukturbericht designation | : | None |
| Pearson symbol | : | hP6 |
| Space group number | : | 183 |
| Space group symbol | : | $P6mm$ |
| AFLOW prototype command | : | aflow --proto=AB_hP6_183_c_ab --params=$a,c/a,z_{1},z_{2},z_{3}$ |
- Here, the M sites are mixed occupation 0.6Fe+0.2Cr+0.2Ni. The Jmol image represents the M sites with "Xx" atoms.
Hexagonal primitive vectors:
\[
\begin{array}{ccc}
\mathbf{a}_1 & = & \frac12 \, a \, \mathbf{\hat{x}} - \frac{\sqrt3}2 \, a \, \mathbf{\hat{y}} \\
\mathbf{a}_2 & = & \frac12 \, a \, \mathbf{\hat{x}} + \frac{\sqrt3}2 \, a \, \mathbf{\hat{y}} \\
\mathbf{a}_3 & = & c \, \mathbf{\hat{z}} \\
\end{array}
\]
Basis vectors:
\[ \begin{array}{ccccccc} & & \mbox{Lattice Coordinates} & & \mbox{Cartesian Coordinates} &\mbox{Wyckoff Position} & \mbox{Atom Type} \\ \mathbf{B}_{1} & = & z_{1} \, \mathbf{a}_{3} & = & z_{1}c \, \mathbf{\hat{z}} & \left(1a\right) & \mbox{Sn I} \\ \mathbf{B}_{2} & = & \frac{1}{3} \, \mathbf{a}_{1} + \frac{2}{3} \, \mathbf{a}_{2} + z_{2} \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{x}} + \frac{1}{2\sqrt{3}}a \, \mathbf{\hat{y}} + z_{2}c \, \mathbf{\hat{z}} & \left(2b\right) & \mbox{Sn II} \\ \mathbf{B}_{3} & = & \frac{2}{3} \, \mathbf{a}_{1} + \frac{1}{3} \, \mathbf{a}_{2} + z_{2} \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{x}}- \frac{1}{2\sqrt{3}}a \, \mathbf{\hat{y}} + z_{2}c \, \mathbf{\hat{z}} & \left(2b\right) & \mbox{Sn II} \\ \mathbf{B}_{4} & = & \frac{1}{2} \, \mathbf{a}_{1} + z_{3} \, \mathbf{a}_{3} & = & \frac{1}{4}a \, \mathbf{\hat{x}}- \frac{\sqrt{3}}{4}a \, \mathbf{\hat{y}} + z_{3}c \, \mathbf{\hat{z}} & \left(3c\right) & \mbox{M} \\ \mathbf{B}_{5} & = & \frac{1}{2} \, \mathbf{a}_{2} + z_{3} \, \mathbf{a}_{3} & = & \frac{1}{4}a \, \mathbf{\hat{x}} + \frac{\sqrt{3}}{4}a \, \mathbf{\hat{y}} + z_{3}c \, \mathbf{\hat{z}} & \left(3c\right) & \mbox{M} \\ \mathbf{B}_{6} & = & \frac{1}{2} \, \mathbf{a}_{1} + \frac{1}{2} \, \mathbf{a}_{2} + z_{3} \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{x}} + z_{3}c \, \mathbf{\hat{z}} & \left(3c\right) & \mbox{M} \\ \end{array} \]References
- J. Huang, L. Zeng, and Z. Sun, X–ray powder diffraction data and Rietveld refinement of CrFe3NiSn5, Powder Diffraction 19, 372–374 (2004), doi:10.1154/1.1763153.
Found in
- P. Villars and K. Cenzual, Pearson's Crystal Data – Crystal Structure Database for Inorganic Compounds, ASM International (2013).