Encyclopedia of Crystallographic Prototypes

AFLOW Prototype: AB6C_tP8_123_a_hi_b-001

If you are using this page, please cite:
H. Eckert, S. Divilov, M. J. Mehl, D. Hicks, A. C. Zettel, M. Esters. X. Campilongo and S. Curtarolo, The AFLOW Library of Crystallographic Prototypes: Part 4. Submitted to Computational Materials Science.

Links to this page

https://aflow.org/p/1ALT
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CePdGa $_{6}$ Structure: AB6C_tP8_123_a_hi_b-001

Prototype	CeGa $_{6}$ Pd
AFLOW prototype label	AB6C_tP8_123_a_hi_b-001
ICSD	240161
Pearson symbol	tP8
Space group number	123
Space group symbol	$P 4/ mmm$
AFLOW prototype command	aflow --proto=AB6C_tP8_123_a_hi_b-001 --params= $a, c / a, z_{3}, z_{4}$

View the structure from several different perspectives
View the primitive and conventional cell

Other compounds with this structure

LaPdGa $_{6}$ , SrAu(Au $_{0.5}$ Ga $_{0.5}$ ) $_{2}$ Ga $_{4}$

The Springer Materials website gives SrAu(Au $_{0.5}$ Ga $_{0.5}$ ) $_{2}$ Ga $_{4}$ as the prototype, but we have chosen to use the stoichiometric CeGa $_{6}$ Pd version.

Simple Tetragonal primitive vectors

a_{1} a_{2} a_{3} = = = a \hat{x} a \hat{y} c \hat{z}

Picture of Structure; Click for Big Picture

Basis vectors

		Lattice coordinates		Cartesian coordinates	Wyckoff position	Atom type
$B_{1}$	=	$0$	=	$0$	(1a)	Ce I
$B_{2}$	=	$\frac{1}{2} a_{3}$	=	$\frac{1}{2} c \hat{z}$	(1b)	Pd I
$B_{3}$	=	$\frac{1}{2} a_{1} + \frac{1}{2} a_{2} + z_{3} a_{3}$	=	$\frac{1}{2} a \hat{x} + \frac{1}{2} a \hat{y} + c z_{3} \hat{z}$	(2h)	Ga I
$B_{4}$	=	$\frac{1}{2} a_{1} + \frac{1}{2} a_{2} - z_{3} a_{3}$	=	$\frac{1}{2} a \hat{x} + \frac{1}{2} a \hat{y} - c z_{3} \hat{z}$	(2h)	Ga I
$B_{5}$	=	$\frac{1}{2} a_{2} + z_{4} a_{3}$	=	$\frac{1}{2} a \hat{y} + c z_{4} \hat{z}$	(4i)	Ga II
$B_{6}$	=	$\frac{1}{2} a_{1} + z_{4} a_{3}$	=	$\frac{1}{2} a \hat{x} + c z_{4} \hat{z}$	(4i)	Ga II
$B_{7}$	=	$\frac{1}{2} a_{2} - z_{4} a_{3}$	=	$\frac{1}{2} a \hat{y} - c z_{4} \hat{z}$	(4i)	Ga II
$B_{8}$	=	$\frac{1}{2} a_{1} - z_{4} a_{3}$	=	$\frac{1}{2} a \hat{x} - c z_{4} \hat{z}$	(4i)	Ga II

References

R. T. Macaluso, S. Nakatsuji, H. Lee, Z. Fisk, M. Moldovan, D. P. Young, and J. Y. Chan, Synthesis, structure, and magnetism of a new heavy-fermion antiferromagnet, CePdGa $_{6}$ , J. Solid State Chem. 174, 296–301 (2003), doi:10.1016/S0022-4596(03)00223-8.

a

c / a

z_{3}

z_{4}

A

B

C

Encyclopedia of Crystallographic Prototypes

CePdGa $_{6}$ Structure: AB6C_tP8_123_a_hi_b-001

Simple Tetragonal primitive vectors

References

Running:

Output:

Encyclopedia of Crystallographic Prototypes

CePdGa6​ Structure: AB6C_tP8_123_a_hi_b-001

Simple Tetragonal primitive vectors

References

Running:

Output:

CePdGa $_{6}$ Structure: AB6C_tP8_123_a_hi_b-001