Fluorite (CaF2, C1) Structure: AB2_cF12_225_a_c
| Prototype | : | CaF2 |
| AFLOW prototype label | : | AB2_cF12_225_a_c |
| Strukturbericht designation | : | $C1$ |
| Pearson symbol | : | cF12 |
| Space group number | : | 225 |
| Space group symbol | : | $\mbox{Fm}\bar{3}\mbox{m}$ |
| AFLOW prototype command | : | aflow --proto=AB2_cF12_225_a_c --params=$a$ |
Other compounds with this structure
- AmO2, AuAl2, AuIn2, BaF2, Be2B, CO2, CdF2, CeO2, CoSi2, EuF2, HgF2, Ir2P, Li2O, Na2O, NiSi2, PtAl2, Rb2O, SrCl2, SrCl2, SrF2, ThO2, ZrO2
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:
\[ \begin{array}{ccccccc} & & \mbox{Lattice Coordinates} & & \mbox{Cartesian Coordinates} &\mbox{Wyckoff Position} & \mbox{Atom Type} \\ \mathbf{B}_{1} & = &0 \, \mathbf{a}_{1} + 0 \, \mathbf{a}_{2} + 0 \, \mathbf{a}_{3} & = &0 \mathbf{\hat{x}} + 0 \mathbf{\hat{y}} + 0 \mathbf{\hat{z}} & \left(4a\right) & \mbox{Ca} \\ \mathbf{B}_{2} & = &\frac14 \, \mathbf{a}_{1}+ \frac14 \, \mathbf{a}_{2}+ \frac14 \, \mathbf{a}_{3}& = &\frac14 \, a \, \mathbf{\hat{x}}+ \frac14 \, a \, \mathbf{\hat{y}}+ \frac14 \, a \, \mathbf{\hat{z}}& \left(8c\right) & \mbox{F} \\ \mathbf{B}_{3} & = &\frac34 \, \mathbf{a}_{1}+ \frac34 \, \mathbf{a}_{2}+ \frac34 \, \mathbf{a}_{3}& = &\frac34 \, a \, \mathbf{\hat{x}}+ \frac34 \, a \, \mathbf{\hat{y}}+ \frac34 \, a \, \mathbf{\hat{z}}& \left(8c\right) & \mbox{F} \\ \end{array} \]References
- S. Speziale and T. S. Duffy, Single–crystal elastic constants of fluorite (CaF2) to 9.3 GPa, Phys. Chem. Miner. 29, 465–472 (2002), doi:10.1007/s00269-002-0250-x.
Found in
- R. T. Downs and M. Hall–Wallace, The American Mineralogist Crystal Structure Database, Am. Mineral. 88, 247–250 (2003).