AuBe5 ($C15_{b}$) Structure: AB5_cF24_216_a_ce

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Prototype : AuBe5
AFLOW prototype label : AB5_cF24_216_a_ce
Strukturbericht designation : $C15_{b}$
Pearson symbol : cF24
Space group number : 216
Space group symbol : $\mbox{F}\bar{4}\mbox{3m}$
AFLOW prototype command : aflow --proto=AB5_cF24_216_a_ce
--params=
$a$,$x_{3}$


Other compounds with this structure

  • MgSnCu4, AuNi4Y, Pt5U, many more

  • The lattice constant for this structure is taken from (Batchelder, 1958), which does not give the internal coordinate for the (16c) site. However, (Baenziger, 1950) assumes that uranium compounds of this type have an internal parameter $x_{3} \approx 5/8$. (Pearson, 1958) uses this to infer a value of $x_{3} \approx 5/8$ here as well.

Face-centered Cubic primitive vectors:

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

Basis vectors:

\[ \begin{array}{ccccccc} & & \mbox{Lattice Coordinates} & & \mbox{Cartesian Coordinates} &\mbox{Wyckoff Position} & \mbox{Atom Type} \\ \mathbf{B}_{1} & = &0 \, \mathbf{a}_{1} + 0 \, \mathbf{a}_{2} + 0 \, \mathbf{a}_{3} & = &0 \mathbf{\hat{x}} + 0 \mathbf{\hat{y}} + 0 \mathbf{\hat{z}} & \left(4a\right) & \mbox{Au} \\ \mathbf{B}_{2} & = &\frac14 \, \mathbf{a}_{1}+ \frac14 \, \mathbf{a}_{2}+ \frac14 \, \mathbf{a}_{3}& = &\frac14 \, a \, \mathbf{\hat{x}}+ \frac14 \, a \, \mathbf{\hat{y}}+ \frac14 \, a \, \mathbf{\hat{z}}& \left(4c\right) & \mbox{Be I} \\ \mathbf{B}_{3} & = &x_{3} \, \mathbf{a}_{1}+ x_{3} \, \mathbf{a}_{2}+ x_{3} \, \mathbf{a}_{3}& = &x_{3} \, a \, \mathbf{\hat{x}}+ x_{3} \, a \, \mathbf{\hat{y}}+ x_{3} \, a \, \mathbf{\hat{z}}& \left(16e\right) & \mbox{Be II} \\ \mathbf{B}_{4} & = &x_{3} \, \mathbf{a}_{1}+ x_{3} \, \mathbf{a}_{2}- 3 \, x_{3} \, \mathbf{a}_{3}& = &- x_{3} \, a \, \mathbf{\hat{x}}- x_{3} \, a \, \mathbf{\hat{y}}+ x_{3} \, a \, \mathbf{\hat{z}}& \left(16e\right) & \mbox{Be II} \\ \mathbf{B}_{5} & = &x_{3} \, \mathbf{a}_{1}- 3 \, x_{3} \, \mathbf{a}_{2}+ x_{3} \, \mathbf{a}_{3}& = &- x_{3} \, a \, \mathbf{\hat{x}}+ x_{3} \, a \, \mathbf{\hat{y}}- x_{3} \, a \, \mathbf{\hat{z}}& \left(16e\right) & \mbox{Be II} \\ \mathbf{B}_{6} & = &- 3 \, x_{3} \, \mathbf{a}_{1}+ x_{3} \, \mathbf{a}_{2}+ x_{3} \, \mathbf{a}_{3}& = &x_{3} \, a \, \mathbf{\hat{x}}- x_{3} \, a \, \mathbf{\hat{y}}- x_{3} \, a \, \mathbf{\hat{z}}& \left(16e\right) & \mbox{Be II} \\ \end{array} \]

References

  • N. C. Baenziger, R. E. Rundle, A. I. Snow, and A. S. Wilson, Compounds of uranium with the transition metals of the first long period, Acta Cryst. 3, 34–40 (1950), doi:10.1107/S0365110X50000082.
  • F. W. von Batchelder and R. F. Raeuchle, The tetragonal MBe12 structure of silver, palladium, platinum and gold, Acta Cryst. 11, 122 (1958), doi:10.1107/S0365110X58000323.

Found in

  • W. B. Pearson, A Handbook of Lattice Spacings and Structures of Metals and Alloys (Pergamon Press, Oxford, 1958)., pp. 406-407.

Geometry files


Prototype Generator

aflow --proto=AB5_cF24_216_a_ce --params=

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