Encyclopedia of Crystallographic Prototypes

AFLOW Prototype: A4B2C_tP7_123_j_e_a-001

This structure originally had the label A4B2C_tP7_123_j_e_a. Calls to that address will be redirected here.

If you are using this page, please cite:
D. Hicks, M.J. Mehl, M. Esters, C. Oses, O. Levy, G.L.W. Hart, C. Toher, and S. Curtarolo, The AFLOW Library of Crystallographic Prototypes: Part 3, Comp. Mat. Sci. 199, 110450 (2021). (doi=10.1016/j.commatsci.2021.110450)

Links to this page

https://aflow.org/p/3SRH
or https://aflow.org/p/A4B2C_tP7_123_j_e_a-001
or PDF Version

K$_{2}$PtCl$_{4}$ ($H1_{5}$) Structure: A4B2C_tP7_123_j_e_a-001

Picture of Structure; Click for Big Picture
Prototype Cl$_{4}$K$_{2}$Pt
AFLOW prototype label A4B2C_tP7_123_j_e_a-001
Strukturbericht designation $H1_{5}$
ICSD 2722
Pearson symbol tP7
Space group number 123
Space group symbol $P4/mmm$
AFLOW prototype command aflow --proto=A4B2C_tP7_123_j_e_a-001
--params=$a, \allowbreak c/a, \allowbreak x_{3}$

Other compounds with this structure

K$_{2}$PdCl$_{4}$


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

Basis vectors

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

References

  • R. H. B. Mais, P. G. Owston, and A. Wood, The crystal structure of K$_{2}$PtCl$_{4}$ and K$_{2}$PdCl$_{4}$ with estimates of the factors affecting accuracy, Acta Crystallogr. Sect. B 28, 393–399 (1972), doi:10.1107/S0567740872002468.

Prototype Generator

aflow --proto=A4B2C_tP7_123_j_e_a --params=$a,c/a,x_{3}$

Species:

Running:

Output: