Encyclopedia of Crystallographic Prototypes

AFLOW Prototype: A3B5_oP16_55_ah_cgh-001

This structure originally had the label A3B5_oP16_55_ch_agh. Calls to that address will be redirected here.

If you are using this page, please cite:
D. Hicks, M. J. Mehl, E. Gossett, C. Toher, O. Levy, R. M. Hanson, G. L. W. Hart, and S. Curtarolo, The AFLOW Library of Crystallographic Prototypes: Part 2, Comp. Mat. Sci. 161, S1-S1011 (2019). (doi=10.1016/j.commatsci.2018.10.043)

Links to this page

https://aflow.org/p/WXAV
or https://aflow.org/p/A3B5_oP16_55_ah_cgh-001
or PDF Version

Rh$_{5}$Ge$_{3}$ Structure: A3B5_oP16_55_ah_cgh-001

Picture of Structure; Click for Big Picture
Prototype Ge$_{3}$Rh$_{5}$
AFLOW prototype label A3B5_oP16_55_ah_cgh-001
ICSD 53891
Pearson symbol oP16
Space group number 55
Space group symbol $Pbam$
AFLOW prototype command aflow --proto=A3B5_oP16_55_ah_cgh-001
--params=$a, \allowbreak b/a, \allowbreak c/a, \allowbreak x_{3}, \allowbreak y_{3}, \allowbreak x_{4}, \allowbreak y_{4}, \allowbreak x_{5}, \allowbreak y_{5}$

Other compounds with this structure

Pd$_{5}$Al$_{3}$,  Pd$_{5}$Ga$_{3}$,  Pd$_{5}$In$_{3}$,  Pt$_{5}$Al$_{3}$,  Rh$_{5}$Si$_{3}$


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

Basis vectors

Lattice coordinates Cartesian coordinates Wyckoff position Atom type
$\mathbf{B_{1}}$ = $0$ = $0$ (2a) Ge I
$\mathbf{B_{2}}$ = $\frac{1}{2} \, \mathbf{a}_{1}+\frac{1}{2} \, \mathbf{a}_{2}$ = $\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{2}b \,\mathbf{\hat{y}}$ (2a) Ge I
$\mathbf{B_{3}}$ = $\frac{1}{2} \, \mathbf{a}_{2}$ = $\frac{1}{2}b \,\mathbf{\hat{y}}$ (2c) Rh I
$\mathbf{B_{4}}$ = $\frac{1}{2} \, \mathbf{a}_{1}$ = $\frac{1}{2}a \,\mathbf{\hat{x}}$ (2c) Rh I
$\mathbf{B_{5}}$ = $x_{3} \, \mathbf{a}_{1}+y_{3} \, \mathbf{a}_{2}$ = $a x_{3} \,\mathbf{\hat{x}}+b y_{3} \,\mathbf{\hat{y}}$ (4g) Rh II
$\mathbf{B_{6}}$ = $- x_{3} \, \mathbf{a}_{1}- y_{3} \, \mathbf{a}_{2}$ = $- a x_{3} \,\mathbf{\hat{x}}- b y_{3} \,\mathbf{\hat{y}}$ (4g) Rh II
$\mathbf{B_{7}}$ = $- \left(x_{3} - \frac{1}{2}\right) \, \mathbf{a}_{1}+\left(y_{3} + \frac{1}{2}\right) \, \mathbf{a}_{2}$ = $- a \left(x_{3} - \frac{1}{2}\right) \,\mathbf{\hat{x}}+b \left(y_{3} + \frac{1}{2}\right) \,\mathbf{\hat{y}}$ (4g) Rh II
$\mathbf{B_{8}}$ = $\left(x_{3} + \frac{1}{2}\right) \, \mathbf{a}_{1}- \left(y_{3} - \frac{1}{2}\right) \, \mathbf{a}_{2}$ = $a \left(x_{3} + \frac{1}{2}\right) \,\mathbf{\hat{x}}- b \left(y_{3} - \frac{1}{2}\right) \,\mathbf{\hat{y}}$ (4g) Rh II
$\mathbf{B_{9}}$ = $x_{4} \, \mathbf{a}_{1}+y_{4} \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ = $a x_{4} \,\mathbf{\hat{x}}+b y_{4} \,\mathbf{\hat{y}}+\frac{1}{2}c \,\mathbf{\hat{z}}$ (4h) Ge II
$\mathbf{B_{10}}$ = $- x_{4} \, \mathbf{a}_{1}- y_{4} \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ = $- a x_{4} \,\mathbf{\hat{x}}- b y_{4} \,\mathbf{\hat{y}}+\frac{1}{2}c \,\mathbf{\hat{z}}$ (4h) Ge II
$\mathbf{B_{11}}$ = $- \left(x_{4} - \frac{1}{2}\right) \, \mathbf{a}_{1}+\left(y_{4} + \frac{1}{2}\right) \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ = $- a \left(x_{4} - \frac{1}{2}\right) \,\mathbf{\hat{x}}+b \left(y_{4} + \frac{1}{2}\right) \,\mathbf{\hat{y}}+\frac{1}{2}c \,\mathbf{\hat{z}}$ (4h) Ge II
$\mathbf{B_{12}}$ = $\left(x_{4} + \frac{1}{2}\right) \, \mathbf{a}_{1}- \left(y_{4} - \frac{1}{2}\right) \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ = $a \left(x_{4} + \frac{1}{2}\right) \,\mathbf{\hat{x}}- b \left(y_{4} - \frac{1}{2}\right) \,\mathbf{\hat{y}}+\frac{1}{2}c \,\mathbf{\hat{z}}$ (4h) Ge II
$\mathbf{B_{13}}$ = $x_{5} \, \mathbf{a}_{1}+y_{5} \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ = $a x_{5} \,\mathbf{\hat{x}}+b y_{5} \,\mathbf{\hat{y}}+\frac{1}{2}c \,\mathbf{\hat{z}}$ (4h) Rh III
$\mathbf{B_{14}}$ = $- x_{5} \, \mathbf{a}_{1}- y_{5} \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ = $- a x_{5} \,\mathbf{\hat{x}}- b y_{5} \,\mathbf{\hat{y}}+\frac{1}{2}c \,\mathbf{\hat{z}}$ (4h) Rh III
$\mathbf{B_{15}}$ = $- \left(x_{5} - \frac{1}{2}\right) \, \mathbf{a}_{1}+\left(y_{5} + \frac{1}{2}\right) \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ = $- a \left(x_{5} - \frac{1}{2}\right) \,\mathbf{\hat{x}}+b \left(y_{5} + \frac{1}{2}\right) \,\mathbf{\hat{y}}+\frac{1}{2}c \,\mathbf{\hat{z}}$ (4h) Rh III
$\mathbf{B_{16}}$ = $\left(x_{5} + \frac{1}{2}\right) \, \mathbf{a}_{1}- \left(y_{5} - \frac{1}{2}\right) \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ = $a \left(x_{5} + \frac{1}{2}\right) \,\mathbf{\hat{x}}- b \left(y_{5} - \frac{1}{2}\right) \,\mathbf{\hat{y}}+\frac{1}{2}c \,\mathbf{\hat{z}}$ (4h) Rh III

References

  • S. Geller, The rhodium-germanium system. I. The crystal structures of Rh2Ge, Rh5Ge3 and RhGe, Acta Cryst. 8, 15–21 (1955), doi:10.1107/S0365110X55000030.

Found in

  • P. Villars and K. Cenzual, Pearson's Crystal Data – Crystal Structure Database for Inorganic Compounds (2013). ASM International.

Prototype Generator

aflow --proto=A3B5_oP16_55_ah_cgh --params=$a,b/a,c/a,x_{3},y_{3},x_{4},y_{4},x_{5},y_{5}$

Species:

Running:

Output: