Encyclopedia of Crystallographic Prototypes

AFLOW Prototype: A_mC4_15_e

  • 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)
  • 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)
  • 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)

$\beta$–Ga (obsolete) Structure : A_mC4_15_e

Picture of Structure; Click for Big Picture
Prototype : Ga
AFLOW prototype label : A_mC4_15_e
Strukturbericht designation : None
Pearson symbol : mC4
Space group number : 15
Space group symbol : $C2/c$
AFLOW prototype command : aflow --proto=A_mC4_15_e
--params=
$a$,$b/a$,$c/a$,$\beta$,$y_{1}$


  • $\beta$–Ga was proposed as a metastable structure of gallium, visible for short times at atomospheric pressure. The true high–pressure structure of gallium is isostructural with indium ($A6$).

Base-centered Monoclinic primitive vectors:

\[ \begin{array}{ccc} \mathbf{a}_1 & = & \frac12 \, a \, \mathbf{\hat{x}} - \frac12 \, b \, \mathbf{\hat{y}} \\ \mathbf{a}_2 & = & \frac12 \, a \, \mathbf{\hat{x}} + \frac12 \, b \, \mathbf{\hat{y}} \\ \mathbf{a}_3 & = & c \cos\beta \, \mathbf{\hat{x}} + c \sin\beta \, \mathbf{\hat{z}} \\ \end{array} \]

Basis vectors:

\[ \begin{array}{ccccccc} & & \text{Lattice Coordinates} & & \text{Cartesian Coordinates} &\text{Wyckoff Position} & \text{Atom Type} \\ \mathbf{B}_{1} & = & -y_{1} \, \mathbf{a}_{1} + y_{1} \, \mathbf{a}_{2} + \frac{1}{4} \, \mathbf{a}_{3} & = & \frac{1}{4}c\cos\beta \, \mathbf{\hat{x}} + y_{1}b \, \mathbf{\hat{y}} + \frac{1}{4}c\sin\beta \, \mathbf{\hat{z}} & \left(4e\right) & \text{Ga} \\ \mathbf{B}_{2} & = & y_{1} \, \mathbf{a}_{1}-y_{1} \, \mathbf{a}_{2} + \frac{3}{4} \, \mathbf{a}_{3} & = & \frac{3}{4}c\cos\beta \, \mathbf{\hat{x}}-y_{1}b \, \mathbf{\hat{y}} + \frac{3}{4}c\sin\beta \, \mathbf{\hat{z}} & \left(4e\right) & \text{Ga} \\ \end{array} \]

References

  • L. Bosio, A. Defrain, H. Curien, and A. Rimsky, Structure cristalline du gallium $\beta$, Acta Crystallogr. Sect. B Struct. Sci. 25, 995 (1969), doi:10.1107/S0567740869003360.

Found in

  • J. Donohue, The Structures of the Elements (Robert E. Krieger Publishing Company, Malabar, Florida, 1982). Reprint of the 1974 John Wilely \& Sons edition.

Geometry files


Prototype Generator

aflow --proto=A_mC4_15_e --params=

Species:

Running:

Output: