Encyclopedia of Crystallographic Prototypes

AFLOW Prototype: A3B5_oC16_65_ah_bej-001

This structure originally had the label A3B5_oC16_65_ah_bej. 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/36DL
or https://aflow.org/p/A3B5_oC16_65_ah_bej-001
or PDF Version

Ga$_{3}$Pt$_{5}$ Structure: A3B5_oC16_65_ah_bej-001

Picture of Structure; Click for Big Picture
Prototype Ga$_{3}$Pt$_{5}$
AFLOW prototype label A3B5_oC16_65_ah_bej-001
ICSD 103927
Pearson symbol oC16
Space group number 65
Space group symbol $Cmmm$
AFLOW prototype command aflow --proto=A3B5_oC16_65_ah_bej-001
--params=$a, \allowbreak b/a, \allowbreak c/a, \allowbreak x_{4}, \allowbreak y_{5}$

Other compounds with this structure

Al$_{3}$Ni$_{5}$,  Ga$_{3}$Ni$_{5}$,  Mn$_{3}$Pd$_{5}$


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

Basis vectors

Lattice coordinates Cartesian coordinates Wyckoff position Atom type
$\mathbf{B_{1}}$ = $0$ = $0$ (2a) Ga I
$\mathbf{B_{2}}$ = $\frac{1}{2} \, \mathbf{a}_{1}+\frac{1}{2} \, \mathbf{a}_{2}$ = $\frac{1}{2}a \,\mathbf{\hat{x}}$ (2b) Pt I
$\mathbf{B_{3}}$ = $\frac{1}{2} \, \mathbf{a}_{2}$ = $\frac{1}{4}a \,\mathbf{\hat{x}}+\frac{1}{4}b \,\mathbf{\hat{y}}$ (4e) Pt II
$\mathbf{B_{4}}$ = $\frac{1}{2} \, \mathbf{a}_{1}$ = $\frac{1}{4}a \,\mathbf{\hat{x}}- \frac{1}{4}b \,\mathbf{\hat{y}}$ (4e) Pt II
$\mathbf{B_{5}}$ = $x_{4} \, \mathbf{a}_{1}+x_{4} \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ = $a x_{4} \,\mathbf{\hat{x}}+\frac{1}{2}c \,\mathbf{\hat{z}}$ (4h) Ga II
$\mathbf{B_{6}}$ = $- x_{4} \, \mathbf{a}_{1}- x_{4} \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ = $- a x_{4} \,\mathbf{\hat{x}}+\frac{1}{2}c \,\mathbf{\hat{z}}$ (4h) Ga II
$\mathbf{B_{7}}$ = $- y_{5} \, \mathbf{a}_{1}+y_{5} \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ = $b y_{5} \,\mathbf{\hat{y}}+\frac{1}{2}c \,\mathbf{\hat{z}}$ (4j) Pt III
$\mathbf{B_{8}}$ = $y_{5} \, \mathbf{a}_{1}- y_{5} \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ = $- b y_{5} \,\mathbf{\hat{y}}+\frac{1}{2}c \,\mathbf{\hat{z}}$ (4j) Pt III

References

  • K. Schubert, S. Bhan, W. Burkhardt, R. Gohle, H. G. Meissner, M. Pötzschke, and E. Stolz, Einige strukturelle Ergebnisse an metallischen Phasen (5), Naturwissenschaften 47, 303 (1960), doi:10.1007/BF00600960.

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=A3B5_oC16_65_ah_bej --params=$a,b/a,c/a,x_{4},y_{5}$

Species:

Running:

Output: