CdAs$_{2}$ Structure: A2B_tI12_98_f_a-001
Other compounds with this structure
CdAs$_{2-x}$P$_{x}$
\[ \begin{array}{ccc}
\mathbf{a_{1}}&=&- \frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{2}a \,\mathbf{\hat{y}}+\frac{1}{2}c \,\mathbf{\hat{z}}\\\mathbf{a_{2}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}- \frac{1}{2}a \,\mathbf{\hat{y}}+\frac{1}{2}c \,\mathbf{\hat{z}}\\\mathbf{a_{3}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{2}a \,\mathbf{\hat{y}}- \frac{1}{2}c \,\mathbf{\hat{z}}
\end{array}\]
Basis vectors
| Lattice coordinates | Cartesian coordinates | Wyckoff position | Atom type | |||
|---|---|---|---|---|---|---|
| $\mathbf{B_{1}}$ | = | $0$ | = | $0$ | (4a) | Cd I |
| $\mathbf{B_{2}}$ | = | $\frac{3}{4} \, \mathbf{a}_{1}+\frac{1}{4} \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{y}}+\frac{1}{4}c \,\mathbf{\hat{z}}$ | (4a) | Cd I |
| $\mathbf{B_{3}}$ | = | $\frac{3}{8} \, \mathbf{a}_{1}+\left(x_{2} + \frac{1}{8}\right) \, \mathbf{a}_{2}+\left(x_{2} + \frac{1}{4}\right) \, \mathbf{a}_{3}$ | = | $a x_{2} \,\mathbf{\hat{x}}+\frac{1}{4}a \,\mathbf{\hat{y}}+\frac{1}{8}c \,\mathbf{\hat{z}}$ | (8f) | As I |
| $\mathbf{B_{4}}$ | = | $\frac{7}{8} \, \mathbf{a}_{1}- \left(x_{2} - \frac{1}{8}\right) \, \mathbf{a}_{2}- \left(x_{2} - \frac{3}{4}\right) \, \mathbf{a}_{3}$ | = | $- a x_{2} \,\mathbf{\hat{x}}+\frac{3}{4}a \,\mathbf{\hat{y}}+\frac{1}{8}c \,\mathbf{\hat{z}}$ | (8f) | As I |
| $\mathbf{B_{5}}$ | = | $\left(x_{2} + \frac{7}{8}\right) \, \mathbf{a}_{1}+\frac{1}{8} \, \mathbf{a}_{2}+\left(x_{2} + \frac{1}{4}\right) \, \mathbf{a}_{3}$ | = | $- \frac{1}{4}a \,\mathbf{\hat{x}}+a \left(x_{2} + \frac{1}{2}\right) \,\mathbf{\hat{y}}+\frac{3}{8}c \,\mathbf{\hat{z}}$ | (8f) | As I |
| $\mathbf{B_{6}}$ | = | $- \left(x_{2} - \frac{7}{8}\right) \, \mathbf{a}_{1}+\frac{5}{8} \, \mathbf{a}_{2}- \left(x_{2} - \frac{3}{4}\right) \, \mathbf{a}_{3}$ | = | $\frac{1}{4}a \,\mathbf{\hat{x}}- a \left(x_{2} - \frac{1}{2}\right) \,\mathbf{\hat{y}}+\frac{3}{8}c \,\mathbf{\hat{z}}$ | (8f) | As I |
References
- V. A. Rubtsov, E. M. Smolarenko, V. M. Trukhan, V. N. Yakimovich, and L. K. Orlik, Phase diagram of the CdP$_{2}$-CdAs$_{2}$ system, Phys. Stat. Solidi A 115, K155–K158 (1989), doi:10.1002/pssa.2211150238.
- V. N. Yakimovich, V. A. Rubtsov, and V. M. Trukhan, Phase Relationships in the CdP$_{4}$-ZnP$_{2}$-CdAs$_{2}$-ZnAs$_{2}$ System, Inorg. Mater. 32, 579–582 (1996).
Found in
- P. Villars and K. Cenzual, Pearson's Crystal Data – Crystal Structure Database for Inorganic Compounds (2013). ASM International.
First cited in
- D. Hicks, M. J. Mehl, E. Gossett, C. Toher, O. Levy, R. M. Hanson, G. L. W. Hart, and S. Curtarolo, The AFLOW Library of Crystallographic Prototypes: Part 2, Comp. Mat. Sci. 161, S1-S1011 (2019). (doi=10.1016/j.commatsci.2018.10.043)
Geometry files
Prototype Generator
aflow --proto=A2B_tI12_98_f_a --params=$a,c/a,x_{2}$