Bogdanovite (Cu3Au, $L1_{2}$) Structure: AB3_cP4_221_a_c

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Prototype : Cu3Au
AFLOW prototype label : AB3_cP4_221_a_c
Strukturbericht designation : $L1_{2}$
Pearson symbol : cP4
Space group number : 221
Space group symbol : $\mbox{Pm}\bar{3}\mbox{m}$
AFLOW prototype command : aflow --proto=AB3_cP4_221_a_c
--params=
$a$


Other compounds with this structure

  • Ni3Al, Al3Er, Al3Li (metastable), Al3Np, Al3Tm, Al3U, Br3Sr, Ca3Pb, Fe3Ga, Fe3Ge, Fe3Pt, Ga3Er, Ga3Ho, Ga3Lu, Ga3Tm, Ga3U, Ge3U, Hg3Zr, In3Dy, In3Er, In3Gd, In3Ho, In3Lu, In3Pu, In3Tb, In3Th, In3U, In3Y, In3Yb, Ir3Cr, Ir3Nb, Ir3Tl, Ir3U, Ir3V, Ir3Zr, La3Al, La3In, Mn3Ir, Mn3Pt, Mn3Rh, Ni3Fe, Ni3Ga, Ni3Ge, Ni3Mn, Pb3Ca, Pb3Gd, Pb3Gd, Pb3La, Pb3Nd, Pb3Pr, Pb3Pu, Pb3Y, Pd3Ce, Pd3Er, Pd3Fe, Pd3Ho, Pd3La, Pd3Lu, Pd3Pb, Pd3Sc, Pd3Sc, Pd3Th, Pd3U, Pr3Al, Pt3Co, Pt3Cr, Pt3Dy, Pt3Fe, Pt3Ga, Pt3Ho, Pt3Mg, Pt3Mn, Pt3Np, Pt3Sc, Pt3Sn, Pt3Sn, Pt3Ti, Pt3V, Pt3Y, Pu3In, Rh3Hf, Rh3Sc, Rh3Ta, Rh3Th, Rh3Ti, Rh3U, Rh3U, Rh3V, Rh3Zr, Ru3U, Sn3Ca, Sn3Ce, Sn3La, Sn3Pr, Sn3Th, Sn3U, Ti3Al, Ti3In, Tl3Ca, Tl3Th, Tl3U, Tl3Y, Tl3Yb, V3Al, Zn3Mn, Zn3Th, and Zr3Al

Simple Cubic primitive vectors:

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

Basis vectors:

\[ \begin{array}{ccccccc} & & \mbox{Lattice Coordinates} & & \mbox{Cartesian Coordinates} &\mbox{Wyckoff Position} & \mbox{Atom Type} \\ \mathbf{B}_{1} & = &0 \, \mathbf{a}_{1} + 0 \, \mathbf{a}_{2} + 0 \, \mathbf{a}_{3} & = &0 \mathbf{\hat{x}} + 0 \mathbf{\hat{y}} + 0 \mathbf{\hat{z}} & \left(1a\right) & \mbox{Au} \\ \mathbf{B}_{2} & = &\frac12 \, \mathbf{a}_{2}+ \frac12 \, \mathbf{a}_{3}& = &\frac12 \, a \, \mathbf{\hat{y}}+ \frac12 \, a \, \mathbf{\hat{z}}& \left(3c\right) & \mbox{Cu} \\ \mathbf{B}_{3} & = &\frac12 \, \mathbf{a}_{1}+ \frac12 \, \mathbf{a}_{3}& = &\frac12 \, a \, \mathbf{\hat{x}}+ \frac12 \, a \, \mathbf{\hat{z}}& \left(3c\right) & \mbox{Cu} \\ \mathbf{B}_{4} & = &\frac12 \, \mathbf{a}_{1}+ \frac12 \, \mathbf{a}_{2}& = &\frac12 \, a \, \mathbf{\hat{x}}+ \frac12 \, a \, \mathbf{\hat{y}}& \left(3c\right) & \mbox{Cu} \\ \end{array} \]

References

  • E. A. Owen and Y. H. Liu, The Thermal Expansion of the Gold–Copper Alloy AuCu3, Phil. Mag. 38, 354–360 (1947), doi:10.1080/14786444708521607.

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. 1273.

Geometry files


Prototype Generator

aflow --proto=AB3_cP4_221_a_c --params=

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