Sr$_{2}$Mn$_{3}$As$_{2}$O$_{2}$ Structure: A2B3C2D2_tI18_139_e_ad_c_e-001
| Prototype | As$_{2}$Mn$_{3}$O$_{2}$Sr$_{2}$ |
| AFLOW prototype label | A2B3C2D2_tI18_139_e_ad_c_e-001 |
| ICSD | 81798 |
| Pearson symbol | tI18 |
| Space group number | 139 |
| Space group symbol | $I4/mmm$ |
| AFLOW prototype command |
aflow --proto=A2B3C2D2_tI18_139_e_ad_c_e-001
--params=$a, \allowbreak c/a, \allowbreak z_{4}, \allowbreak z_{5}$ |
Other compounds with this structure
La$_{2}$O$_{3}$Fe$_{2}$S$_{2}$, La$_{2}$O$_{3}$Fe$_{2}$Se$_{2}$, Sr$_{2}$(Mn$_{2}$Cu)As$_{2}$O$_{2}$, Sr$_{2}$(MnZn$_{2}$)As$_{2}$O$_{2}$, Sr$_{2}$Mn$_{3}$Sb$_{2}$O$_{2}$
- We use the data taken by (Brock, 1996) at 275K.
\[ \begin{array}{ccc}
\mathbf{a_{1}}&=&- \frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{2}a \,\mathbf{\hat{y}}+\frac{1}{2}c \,\mathbf{\hat{z}}\\\mathbf{a_{2}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}- \frac{1}{2}a \,\mathbf{\hat{y}}+\frac{1}{2}c \,\mathbf{\hat{z}}\\\mathbf{a_{3}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{2}a \,\mathbf{\hat{y}}- \frac{1}{2}c \,\mathbf{\hat{z}}
\end{array}\]
Basis vectors
| Lattice coordinates | Cartesian coordinates | Wyckoff position | Atom type | |||
|---|---|---|---|---|---|---|
| $\mathbf{B_{1}}$ | = | $0$ | = | $0$ | (2a) | Mn I |
| $\mathbf{B_{2}}$ | = | $\frac{1}{2} \, \mathbf{a}_{1}+\frac{1}{2} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{y}}$ | (4c) | O I |
| $\mathbf{B_{3}}$ | = | $\frac{1}{2} \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{x}}$ | (4c) | O I |
| $\mathbf{B_{4}}$ | = | $\frac{3}{4} \, \mathbf{a}_{1}+\frac{1}{4} \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{y}}+\frac{1}{4}c \,\mathbf{\hat{z}}$ | (4d) | Mn II |
| $\mathbf{B_{5}}$ | = | $\frac{1}{4} \, \mathbf{a}_{1}+\frac{3}{4} \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{4}c \,\mathbf{\hat{z}}$ | (4d) | Mn II |
| $\mathbf{B_{6}}$ | = | $z_{4} \, \mathbf{a}_{1}+z_{4} \, \mathbf{a}_{2}$ | = | $c z_{4} \,\mathbf{\hat{z}}$ | (4e) | As I |
| $\mathbf{B_{7}}$ | = | $- z_{4} \, \mathbf{a}_{1}- z_{4} \, \mathbf{a}_{2}$ | = | $- c z_{4} \,\mathbf{\hat{z}}$ | (4e) | As I |
| $\mathbf{B_{8}}$ | = | $z_{5} \, \mathbf{a}_{1}+z_{5} \, \mathbf{a}_{2}$ | = | $c z_{5} \,\mathbf{\hat{z}}$ | (4e) | Sr I |
| $\mathbf{B_{9}}$ | = | $- z_{5} \, \mathbf{a}_{1}- z_{5} \, \mathbf{a}_{2}$ | = | $- c z_{5} \,\mathbf{\hat{z}}$ | (4e) | Sr I |
References
- S. L. Brock, N. P. Raju, J. E. Greedan, and S. M. Kauzlarich, The magnetic structures of the mixed layer pnictide oxide compounds Sr$_{2}$Mn$_{3}$Pn$_{2}$O$_{2}$ (Pn = As, Sb), J. Alloys Compd. 237, 9–19 (1996), doi:10.1016/0925-8388(95)02066-7.
Found in
- R. Nath, V. O. Garlea, A. I. Goldman, and D. C. Johnston, Synthesis, structure, and properties of tetragonal Sr$_{2}$M$_{3}$As$_{2}$O$_{2}$ (M$_{3}$=Mn$_{3}$, Mn$_{2}$Cu, and MnZn$_{2}$) compounds containing alternating, Phys. Rev. B 81, 224513 (2010), doi:10.1103/PhysRevB.81.224513.
Prototype Generator
aflow --proto=A2B3C2D2_tI18_139_e_ad_c_e --params=$a,c/a,z_{4},z_{5}$