V4Zn5 Structure: A4B5_tI18_139_i_ah

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Prototype : V4Zn5
AFLOW prototype label : A4B5_tI18_139_i_ah
Strukturbericht designation : None
Pearson symbol : tI18
Space group number : 139
Space group symbol : $\mbox{I4/mmm}$
AFLOW prototype command : aflow --proto=A4B5_tI18_139_i_ah
--params=
$a$,$c/a$,$x_{2}$,$x_{3}$


Other compounds with this structure

  • Pt8Ti

  • This is very similar to the Pt8Ti structure.

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:

\[ \begin{array}{ccccccc} & & \mbox{Lattice Coordinates} & & \mbox{Cartesian Coordinates} &\mbox{Wyckoff Position} & \mbox{Atom Type} \\ \mathbf{B}_{1} & =&0 \, \mathbf{a}_{1} + 0 \, \mathbf{a}_{2} + 0 \, \mathbf{a}_{3} & =&0 \mathbf{\hat{x}} + 0 \mathbf{\hat{y}} + 0 \mathbf{\hat{z}} & \left(2a\right) & \mbox{Zn I} \\ \mathbf{B}_{2} & =&x_{2} \, \mathbf{a}_{1}+ x_{2} \, \mathbf{a}_{2}+ 2x_{2} \, \mathbf{a}_{3}& =&x_{2} \, a \, \mathbf{\hat{x}}+ x_{2} \, a \, \mathbf{\hat{y}}& \left(8h\right) & \mbox{Zn II} \\ \mathbf{B}_{3} & =&- x_{2} \, \mathbf{a}_{1}- x_{2} \, \mathbf{a}_{2}- 2x_{2} \, \mathbf{a}_{3}& =&- x_{2} \, a \, \mathbf{\hat{x}}- x_{2} \, a \, \mathbf{\hat{y}}& \left(8h\right) & \mbox{Zn II} \\ \mathbf{B}_{4} & =&x_{2} \, \mathbf{a}_{1}- x_{2} \, \mathbf{a}_{2}& =&- x_{2} \, a \, \mathbf{\hat{x}}+ x_{2} \, a \, \mathbf{\hat{y}}& \left(8h\right) & \mbox{Zn II} \\ \mathbf{B}_{5} & =&- x_{2} \, \mathbf{a}_{1}+ x_{2} \, \mathbf{a}_{2}& =&x_{2} \, a \, \mathbf{\hat{x}}- x_{2} \, a \, \mathbf{\hat{y}}& \left(8h\right) & \mbox{Zn II} \\ \mathbf{B}_{6} & =&x_{3} \, \mathbf{a}_{2}+ x_{3} \, \mathbf{a}_{3}& =&x_{3} \, a \, \mathbf{\hat{x}}& \left(8i\right) & \mbox{V} \\ \mathbf{B}_{7} & =&- x_{3} \, \mathbf{a}_{2}- x_{3} \, \mathbf{a}_{3}& =&- x_{3} \, a \, \mathbf{\hat{x}}& \left(8i\right) & \mbox{V} \\ \mathbf{B}_{8} & =&x_{3} \, \mathbf{a}_{1}+ x_{3} \, \mathbf{a}_{3}& =&x_{3} \, a \, \mathbf{\hat{y}}& \left(8i\right) & \mbox{V} \\ \mathbf{B}_{9} & =&- x_{3} \, \mathbf{a}_{1}- x_{3} \, \mathbf{a}_{3}& =&- x_{3} \, a \, \mathbf{\hat{y}}& \left(8i\right) & \mbox{V} \\ \end{array} \]

References

  • K. Schubert, H. G. Meissner, A. Raman, and W. Rossteutscher, Einige Strukturdaten metallischer Phasen (9), Naturwissenschaften 51, 287 (1964).

Found in

  • P. Villars and L. Calvert, Pearson's Handbook of Crystallographic Data for Intermetallic Phases (ASM International, Materials Park, OH, 1991), 2nd edn., pp. 5154.

Geometry files


Prototype Generator

aflow --proto=A4B5_tI18_139_i_ah --params=

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