Encyclopedia of Crystallographic Prototypes

AFLOW Prototype: A_hP2_194_c-001

This structure originally had the label A_hP2_194_c. 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/LZW5
or https://aflow.org/p/A_hP2_194_c-001
or PDF Version

Hexagonal Close Packed (Mg, $A 3$ , hcp) Structure: A_hP2_194_c-001

Prototype	Mg
AFLOW prototype label	A_hP2_194_c-001
Strukturbericht designation	$A 3$
ICSD	608404
Pearson symbol	hP2
Space group number	194
Space group symbol	$P 6_{3} / mm c$
AFLOW prototype command	aflow --proto=A_hP2_194_c-001 --params= $a, c / a$

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

Other compounds with this structure

Be, Cd, Co, Dy, Er, $ϵ$ -Fe, Gd, Hf, Ho, Lu, Os, Re, Ru, Sc, Tb, Tc, Ti, Tl, Tm, Y, Zn, Zr

We use the `pure magnesium' lattice constants from (Batchelder, 1957), but the ICSD entry uses the data for Mg $_{0.976}$ Al $_{0.024}$ .

Hexagonal primitive vectors

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

Picture of Structure; Click for Big Picture

Basis vectors

		Lattice coordinates		Cartesian coordinates	Wyckoff position	Atom type
$B_{1}$	=	$\frac{1}{3} a_{1} + \frac{2}{3} a_{2} + \frac{1}{4} a_{3}$	=	$\frac{1}{2} a \hat{x} + \frac{3}{6} a \hat{y} + \frac{1}{4} c \hat{z}$	(2c)	Mg I
$B_{2}$	=	$\frac{2}{3} a_{1} + \frac{1}{3} a_{2} + \frac{3}{4} a_{3}$	=	$\frac{1}{2} a \hat{x} - \frac{3}{6} a \hat{y} + \frac{3}{4} c \hat{z}$	(2c)	Mg I

References

F. W. von Batchelder and R. F. Raeuchle, Lattice Constants and Brillouin Zone Overlap in Dilute Magnesium Alloys, Phys. Rev. 105, 59–61 (1957), doi:10.1103/PhysRev.105.59.

Found in

R. T. Downs and M. Hall-Wallace, The American Mineralogist Crystal Structure Database, Am. Mineral. 88, 247–250 (2003).

a

c / a

A

Encyclopedia of Crystallographic Prototypes

Hexagonal Close Packed (Mg, $A 3$ , hcp) Structure: A_hP2_194_c-001

Hexagonal primitive vectors

References

Found in

Running:

Output:

Encyclopedia of Crystallographic Prototypes

Hexagonal Close Packed (Mg, A3, hcp) Structure: A_hP2_194_c-001

Hexagonal primitive vectors

References

Found in

Running:

Output:

Hexagonal Close Packed (Mg, $A 3$ , hcp) Structure: A_hP2_194_c-001