Encyclopedia of Crystallographic Prototypes

AFLOW Prototype: AB_cF8_225_a_b

  • 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)

Rock Salt (NaCl, $B1$) Structure: AB_cF8_225_a_b

Picture of Structure; Click for Big Picture
Prototype : NaCl
AFLOW prototype label : AB_cF8_225_a_b
Strukturbericht designation : $B1$
Pearson symbol : cF8
Space group number : 225
Space group symbol : $\text{Fm}\bar{3}\text{m}$
AFLOW prototype command : aflow --proto=AB_cF8_225_a_b
--params=
$a$


Other compounds with this structure

  • AgCl, BaS, CaO, CeSe, DyAs, GdN, KBr, LaP, LiCl, LiF, MgO, NaBr, NaF, NiO, PrBi, PuC, RbF, ScN, SrO, TbTe, UC, YN, YbO, ZrO

Face-centered Cubic primitive vectors:

\[ \begin{array}{ccc} \mathbf{a}_1 & = & \frac12 \, a \, \mathbf{\hat{y}} + \frac12 \, a \, \mathbf{\hat{z}} \\ \mathbf{a}_2 & = & \frac12 \, a \, \mathbf{\hat{x}} + \frac12 \, a \, \mathbf{\hat{z}} \\ \mathbf{a}_3 & = & \frac12 \, a \, \mathbf{\hat{x}} + \frac12 \, a \, \mathbf{\hat{y}} \\ \end{array} \]

Basis vectors:

\[ \begin{array}{ccccccc} & & \text{Lattice Coordinates} & & \text{Cartesian Coordinates} &\text{Wyckoff Position} & \text{Atom Type} \\ \mathbf{B}_{1} & = &0 \, \mathbf{a}_{1} + 0 \, \mathbf{a}_{2} + 0 \, \mathbf{a}_{3} & = &0 \mathbf{\hat{x}} + 0 \mathbf{\hat{y}} + 0 \mathbf{\hat{z}} & \left(4a\right) & \text{Cl} \\ \mathbf{B}_{2} & = &\frac12 \, \mathbf{a}_{1}+ \frac12 \, \mathbf{a}_{2}+ \frac12 \, \mathbf{a}_{3}& = &\frac12 \, a \, \mathbf{\hat{x}}+ \frac12 \, a \, \mathbf{\hat{y}}+ \frac12 \, a \, \mathbf{\hat{z}}& \left(4b\right) & \text{Na} \\ \end{array} \]

References

  • D. Walker, P. K. Verma, L. M. D. Cranswick, R. L. Jones, S. M. Clark, and S. Buhre, Halite–sylvite thermoelasticity, Am. Mineral. 89, 204–210 (2004).

Found in

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

Geometry files


Prototype Generator

aflow --proto=AB_cF8_225_a_b --params=

Species:

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