Encyclopedia of Crystallographic Prototypes

AFLOW Prototype: AB3_cP4_221_a_c-001

This structure originally had the label AB3_cP4_221_a_c. Calls to that address will be redirected here.

If you are using this page, please cite:
M. J. Mehl, D. Hicks, C. Toher, O. Levy, R. M. Hanson, G. L. W. Hart, and S. Curtarolo, The AFLOW Library of Crystallographic Prototypes: Part 1, Comp. Mat. Sci. 136, S1-S828 (2017). (doi=10.1016/j.commatsci.2017.01.017)

Links to this page

https://aflow.org/p/NK1T
or https://aflow.org/p/AB3_cP4_221_a_c-001
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Bogdanovite (Cu$_{3}$Au, $L1_{2}$) Structure: AB3_cP4_221_a_c-001

Picture of Structure; Click for Big Picture
Prototype AuCu$_{3}$
AFLOW prototype label AB3_cP4_221_a_c-001
Strukturbericht designation $L1_{2}$
Mineral name bogdanovite
ICSD 42587
Pearson symbol cP4
Space group number 221
Space group symbol $Pm\overline{3}m$
AFLOW prototype command aflow --proto=AB3_cP4_221_a_c-001
--params=$a$

Other compounds with this structure

Al$_{3}$Er,  Al$_{3}$Li (metastable),  Al$_{3}$Np,  Al$_{3}$Tm,  Al$_{3}$U,  Br$_{3}$Sr,  Ca$_{3}$Pb,  Fe$_{3}$Ga,  Fe$_{3}$Ge,  Fe$_{3}$Pt,  Ga$_{3}$Er,  Ga$_{3}$Ho,  Ga$_{3}$Lu,  Ga$_{3}$Tm,  Ga$_{3}$U,  Ge$_{3}$U,  Hg$_{3}$Zr,  In$_{3}$Dy,  In$_{3}$Er,  In$_{3}$Gd,  In$_{3}$Ho,  In$_{3}$Lu,  In$_{3}$Pu,  In$_{3}$Tb,  In$_{3}$Th,  In$_{3}$U,  In$_{3}$Y,  In$_{3}$Yb,  Ir$_{3}$Cr,  Ir$_{3}$Nb,  Ir$_{3}$Tl,  Ir$_{3}$U,  Ir$_{3}$V,  Ir$_{3}$Zr,  La$_{3}$Al,  La$_{3}$In,  Mn$_{3}$Ir,  Mn$_{3}$Pt,  Mn$_{3}$Rh,  Ni$_{3}$Al,  Ni$_{3}$Fe,  Ni$_{3}$Ga,  Ni$_{3}$Ge,  Ni$_{3}$Mn,  Ni$_{3}$Si,  Pb$_{3}$Ca,  Pb$_{3}$Gd,  Pb$_{3}$Gd,  Pb$_{3}$La,  Pb$_{3}$Nd,  Pb$_{3}$Pr,  Pb$_{3}$Pu,  Pb$_{3}$Y,  Pd$_{3}$Ce,  Pd$_{3}$Dy,  Pd$_{3}$Er,  Pd$_{3}$Fe,  Pd$_{3}$Ho,  Pd$_{3}$La,  Pd$_{3}$Lu,  Pd$_{3}$Pb,  Pd$_{3}$Sc,  Pd$_{3}$Sc,  Pd$_{3}$Sn,  Pd$_{3}$Th,  Pd$_{3}$U,  Pr$_{3}$Al,  Pt$_{3}$Co,  Pt$_{3}$Cr,  Pt$_{3}$Dy,  Pt$_{3}$Fe,  Pt$_{3}$Ga,  Pt$_{3}$Ho,  Pt$_{3}$Mg,  Pt$_{3}$Mn,  Pt$_{3}$Np,  Pt$_{3}$Sc,  Pt$_{3}$Sn,  Pt$_{3}$Ti,  Pt$_{3}$V,  Pt$_{3}$Y,  Pt$_{3}$Zn,  $\beta$-Pu$_{3}$Ga,  Pu$_{3}$In,  Rh$_{3}$Hf,  Rh$_{3}$Sc,  Rh$_{3}$Ta,  Rh$_{3}$Th,  Rh$_{3}$Ti,  Rh$_{3}$U,  Rh$_{3}$U,  Rh$_{3}$V,  Rh$_{3}$Zr,  Ru$_{3}$U,  Si$_{3}$U,  Sn$_{3}$Ca,  Sn$_{3}$Ce,  Sn$_{3}$Eu,  Sn$_{3}$Gd,  Sn$_{3}$Ge,  Sn$_{3}$La,  Sn$_{3}$Nd,  Sn$_{3}$Pm,  Sn$_{3}$Pr,  Sn$_{3}$Sm,  Sn$_{3}$Th,  Sn$_{3}$U,  Ti$_{3}$Al,  Ti$_{3}$In,  Ti$_{3}$Sn,  Tl$_{3}$Ca,  Tl$_{3}$Th,  Tl$_{3}$U,  Tl$_{3}$Y,  Tl$_{3}$Yb,  V$_{3}$Al,  $\beta$-U$_{3}$Si,  Zn$_{3}$Mn,  Zn$_{3}$Th,  Zr$_{3}$Al


  • (Owen, 1946) give the lattice constants in kX units, where 1 kX = 1.00202Å. (Wood, 1947)

\[ \begin{array}{ccc} \mathbf{a_{1}}&=&a \,\mathbf{\hat{x}}\\\mathbf{a_{2}}&=&a \,\mathbf{\hat{y}}\\\mathbf{a_{3}}&=&a \,\mathbf{\hat{z}} \end{array}\]

Basis vectors

Lattice coordinates Cartesian coordinates Wyckoff position Atom type
$\mathbf{B_{1}}$ = $0$ = $0$ (1a) Au I
$\mathbf{B_{2}}$ = $\frac{1}{2} \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ = $\frac{1}{2}a \,\mathbf{\hat{y}}+\frac{1}{2}a \,\mathbf{\hat{z}}$ (3c) Cu I
$\mathbf{B_{3}}$ = $\frac{1}{2} \, \mathbf{a}_{1}+\frac{1}{2} \, \mathbf{a}_{3}$ = $\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{2}a \,\mathbf{\hat{z}}$ (3c) Cu I
$\mathbf{B_{4}}$ = $\frac{1}{2} \, \mathbf{a}_{1}+\frac{1}{2} \, \mathbf{a}_{2}$ = $\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{2}a \,\mathbf{\hat{y}}$ (3c) Cu I

References

  • E. A. Owen and Y. H. Liu, The Thermal Expansion of the Gold-Copper Alloy AuCu$_3$, Phil. Mag. 38, 354–360 (1947), doi:10.1080/14786444708521607.
  • E. A. Wood, The Conversion Factor for kX Units to Angström Units, J. Appl. Phys. 18, 929–930 (1947), doi:10.1063/1.1697570.

Found in

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

Prototype Generator

aflow --proto=AB3_cP4_221_a_c --params=$a$

Species:

Running:

Output: