Encyclopedia of Crystallographic Prototypes

AFLOW Prototype: A_cF8_227_a-001

This structure originally had the label A_cF8_227_a. 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/X5M8
or https://aflow.org/p/A_cF8_227_a-001
or PDF Version

Diamond ($A4$) Structure: A_cF8_227_a-001

Picture of Structure; Click for Big Picture
Prototype C
AFLOW prototype label A_cF8_227_a-001
Strukturbericht designation $A4$
Mineral name diamond
ICSD 53779
Pearson symbol cF8
Space group number 227
Space group symbol $Fd\overline{3}m$
AFLOW prototype command aflow --proto=A_cF8_227_a-001
--params=$a$

Other compounds with this structure

Ge,  Si,  Sn


  • This is the first crystal structure to be determined by X-ray diffraction.

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

Basis vectors

Lattice coordinates Cartesian coordinates Wyckoff position Atom type
$\mathbf{B_{1}}$ = $\frac{1}{8} \, \mathbf{a}_{1}+\frac{1}{8} \, \mathbf{a}_{2}+\frac{1}{8} \, \mathbf{a}_{3}$ = $\frac{1}{8}a \,\mathbf{\hat{x}}+\frac{1}{8}a \,\mathbf{\hat{y}}+\frac{1}{8}a \,\mathbf{\hat{z}}$ (8a) C I
$\mathbf{B_{2}}$ = $\frac{7}{8} \, \mathbf{a}_{1}+\frac{7}{8} \, \mathbf{a}_{2}+\frac{7}{8} \, \mathbf{a}_{3}$ = $\frac{7}{8}a \,\mathbf{\hat{x}}+\frac{7}{8}a \,\mathbf{\hat{y}}+\frac{7}{8}a \,\mathbf{\hat{z}}$ (8a) C I

References

  • W. H. Bragg and W. L. Bragg, The Structure of Diamond, Proc. Phys. Soc. London A 89, 277–291 (1913), doi:10.1098/rspa.1913.0084.

Prototype Generator

aflow --proto=A_cF8_227_a --params=$a$

Species:

Running:

Output: