FeS (Low–temperature) Structure: AB_oF8_22_a_c

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Prototype : FeS
AFLOW prototype label : AB_oF8_22_a_c
Strukturbericht designation : None
Pearson symbol : oF8
Space group number : 22
Space group symbol : $F222$
AFLOW prototype command : aflow --proto=AB_oF8_22_a_c
--params=
$a$,$b/a$,$c/a$


Face-centered Orthorhombic primitive vectors:

\[ \begin{array}{ccc} \mathbf{a}_1 & = & \frac12 \, b \, \mathbf{\hat{y}} + \frac12 \, c \, \mathbf{\hat{z}} \\ \mathbf{a}_2 & = & \frac12 \, a \, \mathbf{\hat{x}} + \frac12 \, c \, \mathbf{\hat{z}} \\ \mathbf{a}_3 & = & \frac12 \, a \, \mathbf{\hat{x}} + \frac12 \, b \, \mathbf{\hat{y}} \\ \end{array} \]

Basis vectors:

\[ \begin{array}{ccccccc} & & \mbox{Lattice Coordinates} & & \mbox{Cartesian Coordinates} &\mbox{Wyckoff Position} & \mbox{Atom Type} \\ \mathbf{B}_{1} & = & 0 \, \mathbf{a}_{1} + 0 \, \mathbf{a}_{2} + 0 \, \mathbf{a}_{3} & = & 0 \, \mathbf{\hat{x}} + 0 \, \mathbf{\hat{y}} + 0 \, \mathbf{\hat{z}} & \left(4a\right) & \mbox{Fe} \\ \mathbf{B}_{2} & = & \frac{1}{4} \, \mathbf{a}_{1} + \frac{1}{4} \, \mathbf{a}_{2} + \frac{1}{4} \, \mathbf{a}_{3} & = & \frac{1}{4}a \, \mathbf{\hat{x}} + \frac{1}{4}b \, \mathbf{\hat{y}} + \frac{1}{4}c \, \mathbf{\hat{z}} & \left(4c\right) & \mbox{S} \\ \end{array} \]

References

  • M. Wintenberger, B. Srour, C. Meyer, F. Hartmannboutron, Y. Gros, and J. L. Buevoz, First order transitions and magnetic–structure of zincblende–type iron sulfide, Acta Crystallogr. Sect. A 34, S318–S318 (1978).

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_oF8_22_a_c --params=

Species:

Running:

Output: