CrFe3NiSn5 Structure: AB_hP6_183_c_ab

Picture of Structure; Click for Big Picture
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).

Geometry files


Prototype Generator

aflow --proto=AB_hP6_183_c_ab --params=

Species:

Running:

Output: