Fluorite (CaF$_{2}$, $C1$) Structure: AB2_cF12_225_a_c-001
| Prototype | CaF$_{2}$ |
| AFLOW prototype label | AB2_cF12_225_a_c-001 |
| Strukturbericht designation | $C1$ |
| Mineral name | fluorite |
| ICSD | 44937 |
| Pearson symbol | cF12 |
| Space group number | 225 |
| Space group symbol | $Fm\overline{3}m$ |
| AFLOW prototype command |
aflow --proto=AB2_cF12_225_a_c-001
--params=$a$ |
Other compounds with this structure
AmO$_{2}$, AuAl$_{2}$, AuGa$_{2}$, AuIn$_{2}$, BBe$_{2}$, BaF$_{2}$, CO$_{2}$, CdF$_{2}$, CeH$_{2}$, CeO$_{2}$, CmO$_{2}$, CoSi$_{2}$, DyH$_{2}$, EuF$_{2}$, GdH$_{2}$, GeMg$_{2}$, HgF$_{2}$, IrSn$_{2}$, LaH$_{2}$, LuH$_{2}$, MgPu$_{2}$, NbH$_{2}$, NdH$_{2}$, NiSi$_{2}$, OK$_{2}$, OLi$_{2}$, ONa$_{2}$, ORb$_{2}$, PIr$_{2}$, PRh$_{2}$, PaO$_{2}$, PbMg$_{2}$, PoO$_{2}$, PrH$_{2}$, PrO$_{2}$, PtAl$_{2}$, PtGa$_{2}$, PtSn$_{2}$, PuH$_{2}$, PuO$_{2}$, RbO$_{2}$, RbS$_{2}$, SCu$_{2}$, SH$_{2}$, SK$_{2}$, SLi$_{2}$, SRb$_{2}$, ScH$_{2}$, SeH$_{2}$, SeK$_{2}$, SeLi$_{2}$, SiMg$_{2}$, SmH$_{2}$, SmO$_{2}$, $\beta$-SrBr$_{2}$, SrCl$_{2}$, SrF$_{2}$, SrMg$_{2}$, TbH$_{2}$, TbO$_{2}$, TeK$_{2}$, TeLi$_{2}$, ThH$_{2}$, ThO$_{2}$, TmH$_{2}$, UC$_{2}$, UN$_{2}$, UO$_{2}$, YH$_{2}$, ZrO$_{2}$
- We do not have an ICSD entry from (Speziale, 2002), so we use the one provided by (Smakula, 1955).
\[ \begin{array}{ccc}
\mathbf{a_{1}}&=&\frac{1}{2}a \,\mathbf{\hat{y}}+\frac{1}{2}a \,\mathbf{\hat{z}}\\\mathbf{a_{2}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{2}a \,\mathbf{\hat{z}}\\\mathbf{a_{3}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{2}a \,\mathbf{\hat{y}}
\end{array}\]
Basis vectors
| Lattice coordinates | Cartesian coordinates | Wyckoff position | Atom type | |||
|---|---|---|---|---|---|---|
| $\mathbf{B_{1}}$ | = | $0$ | = | $0$ | (4a) | Ca I |
| $\mathbf{B_{2}}$ | = | $\frac{1}{4} \, \mathbf{a}_{1}+\frac{1}{4} \, \mathbf{a}_{2}+\frac{1}{4} \, \mathbf{a}_{3}$ | = | $\frac{1}{4}a \,\mathbf{\hat{x}}+\frac{1}{4}a \,\mathbf{\hat{y}}+\frac{1}{4}a \,\mathbf{\hat{z}}$ | (8c) | F I |
| $\mathbf{B_{3}}$ | = | $\frac{3}{4} \, \mathbf{a}_{1}+\frac{3}{4} \, \mathbf{a}_{2}+\frac{3}{4} \, \mathbf{a}_{3}$ | = | $\frac{3}{4}a \,\mathbf{\hat{x}}+\frac{3}{4}a \,\mathbf{\hat{y}}+\frac{3}{4}a \,\mathbf{\hat{z}}$ | (8c) | F I |
References
- S. Speziale and T. S. Duffy, Single-crystal elastic constants of fluorite (CaF$_{2}$) to 9.3 GPa, Phys. Chem. Miner. 29, 465–472 (2002), doi:10.1007/s00269-002-0250-x.
- A. Smakula and J. Kalnajs, Precision Determination of Lattice Constants with a Geiger-Counter X-Ray Diffractometer, Phys. Rev. 99, 1737–1743 (1955), doi:10.1103/PhysRev.99.1737.
Found in
- R. T. Downs and M. Hall-Wallace, The American Mineralogist Crystal Structure Database, Am. Mineral. 88, 247–250 (2003).
Prototype Generator
aflow --proto=AB2_cF12_225_a_c --params=$a$