Rock Salt/Halite (NaCl, $B1$) Structure: AB_cF8_225_a_b-001
| Prototype | ClNa |
| AFLOW prototype label | AB_cF8_225_a_b-001 |
| Strukturbericht designation | $B1$ |
| Mineral name | halite |
| ICSD | 240598 |
| CCDC | 1711262 |
| Pearson symbol | cF8 |
| Space group number | 225 |
| Space group symbol | $Fm\overline{3}m$ |
| AFLOW prototype command |
aflow --proto=AB_cF8_225_a_b-001
--params=$a$ |
Other compounds with this structure
AgCl, AmO, BaO, BaPo, BaS, BaSe, BaTe, CaO, CaPo, CaS, CaSe, CdO, CeAs, CeBi, CeN, CeP, CeS, CeSb, CeSe, CeTe, CoO, CrN, DyAs, DyBi, DyN, DyP, DyS, DySb, DySe, DyTe, ErAs, ErBi, ErN, ErP, ErS, ErSb, ErSe, ErTe, EuN, EuO, EuS, EuSe, EuTe, GdAs, GdN, GdSb, GdSe, GdTe, HfB, HfC, HfN, HoAs, HoBi, HoN, HoP, HoS, HoSb, HoSe, HoTe, KBr, LaAs, LaBi, LaN, LaP, LaS, LaSb, LaTe, LiCl, LiF, LiH, LuN, LuS, LuSb, MgO, MgS, MgSe, MnO, MnS, MnSe, MnTe, NU, NaBr, NaF, NaH, NbO, NdAs, NdBi, NdN, NdP, NdS, NdTe, NiO, NpC, NpN, NpO, PaO, PbPo, PbS, PbSe, PbTe, PdH, PrAs, PrBi, PrN, PrP, PrS, PrSb, PrSe, PuAs, PuB, PuBi, PuC, PuN, PuO, PuP, PuS, PuTe, RbF, RbH, ScAs, ScBi, ScC, ScN, ScP, ScSb, SmAs, SmN, SmO, SmP, SmS, SmSe, SmTe, SmTm, SnAs, SnSb, SnSe, SrO, SrS, SrTe, TaC, TaO, TbAs, TbBi, TbN, TbP, TbS, TbSb, TbSe, TbTe, ThAs, ThC, ThGe, ThN, ThSb, TiC, TiN, TiO, TmAs, TmBi, TmN, TmP, TmSb, TmSe, TmTe, UAs, UBi, UC, UO, UP, US, USb, USe, UTe, VO, YAs, YBi, YN, YP, YS, YSb, YSe, YTe, YbAs, YbN, YbO, YbP, YbS, YbSb, YbSe, YbTe, ZnSe, ZrB, ZrC, ZrN, ZrO, ZrS
\[ \begin{array}{ccc}
\mathbf{a_{1}}&=&\frac{1}{2}a \,\mathbf{\hat{y}}+\frac{1}{2}a \,\mathbf{\hat{z}}\\\mathbf{a_{2}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{2}a \,\mathbf{\hat{z}}\\\mathbf{a_{3}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{2}a \,\mathbf{\hat{y}}
\end{array}\]
Basis vectors
| Lattice coordinates | Cartesian coordinates | Wyckoff position | Atom type | |||
|---|---|---|---|---|---|---|
| $\mathbf{B_{1}}$ | = | $0$ | = | $0$ | (4a) | Cl I |
| $\mathbf{B_{2}}$ | = | $\frac{1}{2} \, \mathbf{a}_{1}+\frac{1}{2} \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{2}a \,\mathbf{\hat{y}}+\frac{1}{2}a \,\mathbf{\hat{z}}$ | (4b) | Na I |
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).
First cited in
- 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)
Geometry files
Prototype Generator
aflow --proto=AB_cF8_225_a_b --params=$a$