CsCl ($B2$) Structure: AB_cP2_221_a_b-002
| Prototype | ClCs |
| AFLOW prototype label | AB_cP2_221_a_b-002 |
| Strukturbericht designation | $B2$ |
| ICSD | 622367 |
| CCDC | 1749795 |
| Pearson symbol | cP2 |
| Space group number | 221 |
| Space group symbol | $Pm\overline{3}m$ |
| AFLOW prototype command |
aflow --proto=AB_cP2_221_a_b-002
--params=$a$ |
Other compounds with this structure
AgCd, AgCe, AgDy, AgGd, AgHo, AgLa, AgLi, AgLu, AgMg, AgNd, AgSc, AgSm, AgTb, AgTm, AgZn, AlCe, AlCo, AlDy, AlFe, AlIr, AlLu, AlMg, AlNd, AlNi, AlOs, AlPd (H.T.), AlRe, AlRh, AlRu, AuCd, AuCs, AuDy, AuGd, AuHRb, AuHo, AuLa, AuLi, AuLu, AuMg, AuMn (H.T.), AuNd, AuPr, AuSc, AuSm, AuTb, AuTi (H.T.), AuTm, AuY, AuZn, BaCd, BaHg, BeNi, BePd, BiTl, CaCd, CaHg, CaIn, CaTl, CdCe, CdGd, CdLa, CdPr, CdSc, CdSm, CdSr, CdY, CeHg, CeMg, CeZn, CoFe, CoGa, CoHf, CoSc, CoTi, CoZr, CuDy, CuEr, CuGd, CuSc, CuSm, CuTb, CuTm, CuY, DyIn, DyMg, DyTl, DyZn, ErMg, ErZn, FeRh, FeTi, FeV, GaIr, GaNi, GaRu, GdHg, GdIn, GdMg, GdRh, GdTl, GdZn, HfRu, HfTc, HgLa, HgLi, HgMg, HgMn, HgPr, HgSc, HgSr, HgY, HoIr, HoMg, HoRh, HoZn, InNi, InPd, IrMn, IrSc, IrTm, LuMg, LuPd, LuRh, MgNd, MgPd, MgPr, MgRh, MgSm, MgTb, MgTm, MgV, NdTl, NdZn, NiSc, NiTi, NiZn (H.T.), OsTl, OsV, OsZr, PdSc, PdSm, PdZn, PtSc, PuRu, ReTi, RhSc, RhSi, RhSm, RhTb, RhTi, RhTm, RhZr, ScZn, SmZn, SrTl, TaTc, TbZn, TcTi, TcV, TeTh, TiZn, TlY, TmZn, YZn
- The atoms are on the sites of a body-centered cubic lattice.
- We extrapolated the lattice constants of (Ganesan, 1986) to 0K. The ICSD entry uses their lattice constant at 298K.
\[ \begin{array}{ccc}
\mathbf{a_{1}}&=&a \,\mathbf{\hat{x}}\\\mathbf{a_{2}}&=&a \,\mathbf{\hat{y}}\\\mathbf{a_{3}}&=&a \,\mathbf{\hat{z}}
\end{array}\]
Basis vectors
| Lattice coordinates | Cartesian coordinates | Wyckoff position | Atom type | |||
|---|---|---|---|---|---|---|
| $\mathbf{B_{1}}$ | = | $0$ | = | $0$ | (1a) | Cl I |
| $\mathbf{B_{2}}$ | = | $\frac{1}{2} \, \mathbf{a}_{1}+\frac{1}{2} \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{2}a \,\mathbf{\hat{y}}+\frac{1}{2}a \,\mathbf{\hat{z}}$ | (1b) | Cs I |
References
- V. Ganesan and K. S. Girirajan, Lattice parameter and thermal expansion of CsCl and CsBr by x-ray powder diffraction. I. Thermal expansion of CsCl from room temperature to 90$^{\circ}$ K, Paramana – Journal of Physics 27, 469–474 (1986), doi:10.1007/BF02846872.
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_cP2_221_a_b --params=$a$