Encyclopedia of Crystallographic Prototypes

AFLOW Prototype: AB5C_tP7_123_b_ci_a-001

This structure originally had the label AB5C_tP7_123_b_ci_a. 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/SBCX
or https://aflow.org/p/AB5C_tP7_123_b_ci_a-001
or PDF Version

HoCoGa$_{5}$ Structure: AB5C_tP7_123_b_ci_a-001

Picture of Structure; Click for Big Picture
Prototype CoGa$_{5}$Ho
AFLOW prototype label AB5C_tP7_123_b_ci_a-001
ICSD 42427
Pearson symbol tP7
Space group number 123
Space group symbol $P4/mmm$
AFLOW prototype command aflow --proto=AB5C_tP7_123_b_ci_a-001
--params=$a, \allowbreak c/a, \allowbreak z_{4}$

Other compounds with this structure

CeRhIn$_{5}$,  CeCoIn$_{5}$,  DyCoGa$_{5}$,  ErCoGa$_{5}$,  GdCoGa$_{5}$,  LuCoGa$_{5}$,  TbCoGa$_{5}$,  TmCoGa$_{5}$,  UCoGa$_{5}$,  YCoGa$_{5}$,  CoIrIn$_{5}$,  CoRhIn$_{5}$,  LaCoIn$_{5}$,  LaIrIn$_{5}$,  LaRhIn$_{5}$,  PrCoIn$_{5}$,  PrIrIn$_{5}$,  PrRhIn$_{5}$


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

Basis vectors

Lattice coordinates Cartesian coordinates Wyckoff position Atom type
$\mathbf{B_{1}}$ = $0$ = $0$ (1a) Ho I
$\mathbf{B_{2}}$ = $\frac{1}{2} \, \mathbf{a}_{3}$ = $\frac{1}{2}c \,\mathbf{\hat{z}}$ (1b) Co I
$\mathbf{B_{3}}$ = $\frac{1}{2} \, \mathbf{a}_{1}+\frac{1}{2} \, \mathbf{a}_{2}$ = $\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{2}a \,\mathbf{\hat{y}}$ (1c) Ga I
$\mathbf{B_{4}}$ = $\frac{1}{2} \, \mathbf{a}_{2}+z_{4} \, \mathbf{a}_{3}$ = $\frac{1}{2}a \,\mathbf{\hat{y}}+c z_{4} \,\mathbf{\hat{z}}$ (4i) Ga II
$\mathbf{B_{5}}$ = $\frac{1}{2} \, \mathbf{a}_{1}+z_{4} \, \mathbf{a}_{3}$ = $\frac{1}{2}a \,\mathbf{\hat{x}}+c z_{4} \,\mathbf{\hat{z}}$ (4i) Ga II
$\mathbf{B_{6}}$ = $\frac{1}{2} \, \mathbf{a}_{2}- z_{4} \, \mathbf{a}_{3}$ = $\frac{1}{2}a \,\mathbf{\hat{y}}- c z_{4} \,\mathbf{\hat{z}}$ (4i) Ga II
$\mathbf{B_{7}}$ = $\frac{1}{2} \, \mathbf{a}_{1}- z_{4} \, \mathbf{a}_{3}$ = $\frac{1}{2}a \,\mathbf{\hat{x}}- c z_{4} \,\mathbf{\hat{z}}$ (4i) Ga II

References

  • Y. Grin, Y. Yarmolyuk, and E. I. Gladyshevskii, Kristallicheskie struktury soedinenij R$_2$CoGa$_8$ (R=Sm, Gd, Tb, Dy, Ho, Er, Tm, Lu, Y) and RCoGa$_5$ (R=Gd, Tb, Dy, Ho, Er, Tm, Lu, Y), Kristallografiya 24, 242–246 (1979).

Found in

  • P. Villars, HoCoGa5 Crystal Structure (2016). PAULING FILE in: Inorganic Solid Phases, SpringerMaterials (online database).

Prototype Generator

aflow --proto=AB5C_tP7_123_b_ci_a --params=$a,c/a,z_{4}$

Species:

Running:

Output: