Ti$_{5}$Te$_{4}$ Structure: A4B5_tI18_87_h_ah-001
| Prototype | Te$_{4}$Ti$_{5}$ |
| AFLOW prototype label | A4B5_tI18_87_h_ah-001 |
| ICSD | 15451 |
| Pearson symbol | tI18 |
| Space group number | 87 |
| Space group symbol | $I4/m$ |
| AFLOW prototype command |
aflow --proto=A4B5_tI18_87_h_ah-001
--params=$a, \allowbreak c/a, \allowbreak x_{2}, \allowbreak y_{2}, \allowbreak x_{3}, \allowbreak y_{3}$ |
Other compounds with this structure
Mo$_{5}$As$_{4}$, Nb$_{5}$Sb$_{4}$, Nb$_{5}$Se$_{4}$, Nb$_{5}$Te$_{4}$, Ta$_{5}$Sb$_{4}$, V$_{5}$S$_{4}$, V$_{5}$Se$_{4}$
\[ \begin{array}{ccc}
\mathbf{a_{1}}&=&- \frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{2}a \,\mathbf{\hat{y}}+\frac{1}{2}c \,\mathbf{\hat{z}}\\\mathbf{a_{2}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}- \frac{1}{2}a \,\mathbf{\hat{y}}+\frac{1}{2}c \,\mathbf{\hat{z}}\\\mathbf{a_{3}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{2}a \,\mathbf{\hat{y}}- \frac{1}{2}c \,\mathbf{\hat{z}}
\end{array}\]
Basis vectors
| Lattice coordinates | Cartesian coordinates | Wyckoff position | Atom type | |||
|---|---|---|---|---|---|---|
| $\mathbf{B_{1}}$ | = | $0$ | = | $0$ | (2a) | Ti I |
| $\mathbf{B_{2}}$ | = | $y_{2} \, \mathbf{a}_{1}+x_{2} \, \mathbf{a}_{2}+\left(x_{2} + y_{2}\right) \, \mathbf{a}_{3}$ | = | $a x_{2} \,\mathbf{\hat{x}}+a y_{2} \,\mathbf{\hat{y}}$ | (8h) | Te I |
| $\mathbf{B_{3}}$ | = | $- y_{2} \, \mathbf{a}_{1}- x_{2} \, \mathbf{a}_{2}- \left(x_{2} + y_{2}\right) \, \mathbf{a}_{3}$ | = | $- a x_{2} \,\mathbf{\hat{x}}- a y_{2} \,\mathbf{\hat{y}}$ | (8h) | Te I |
| $\mathbf{B_{4}}$ | = | $x_{2} \, \mathbf{a}_{1}- y_{2} \, \mathbf{a}_{2}+\left(x_{2} - y_{2}\right) \, \mathbf{a}_{3}$ | = | $- a y_{2} \,\mathbf{\hat{x}}+a x_{2} \,\mathbf{\hat{y}}$ | (8h) | Te I |
| $\mathbf{B_{5}}$ | = | $- x_{2} \, \mathbf{a}_{1}+y_{2} \, \mathbf{a}_{2}- \left(x_{2} - y_{2}\right) \, \mathbf{a}_{3}$ | = | $a y_{2} \,\mathbf{\hat{x}}- a x_{2} \,\mathbf{\hat{y}}$ | (8h) | Te I |
| $\mathbf{B_{6}}$ | = | $y_{3} \, \mathbf{a}_{1}+x_{3} \, \mathbf{a}_{2}+\left(x_{3} + y_{3}\right) \, \mathbf{a}_{3}$ | = | $a x_{3} \,\mathbf{\hat{x}}+a y_{3} \,\mathbf{\hat{y}}$ | (8h) | Ti II |
| $\mathbf{B_{7}}$ | = | $- y_{3} \, \mathbf{a}_{1}- x_{3} \, \mathbf{a}_{2}- \left(x_{3} + y_{3}\right) \, \mathbf{a}_{3}$ | = | $- a x_{3} \,\mathbf{\hat{x}}- a y_{3} \,\mathbf{\hat{y}}$ | (8h) | Ti II |
| $\mathbf{B_{8}}$ | = | $x_{3} \, \mathbf{a}_{1}- y_{3} \, \mathbf{a}_{2}+\left(x_{3} - y_{3}\right) \, \mathbf{a}_{3}$ | = | $- a y_{3} \,\mathbf{\hat{x}}+a x_{3} \,\mathbf{\hat{y}}$ | (8h) | Ti II |
| $\mathbf{B_{9}}$ | = | $- x_{3} \, \mathbf{a}_{1}+y_{3} \, \mathbf{a}_{2}- \left(x_{3} - y_{3}\right) \, \mathbf{a}_{3}$ | = | $a y_{3} \,\mathbf{\hat{x}}- a x_{3} \,\mathbf{\hat{y}}$ | (8h) | Ti II |
References
- F. Gr\onvold, A. Kjekshus, and F. Raaum, The crystal structure of Ti$_5$Te$_4$, Acta Cryst. 14, 930–934 (1961), doi:10.1107/S0365110X61002722.
Found in
- P. Villars and L. Calvert, Pearson's Handbook of Crystallographic Data for Intermetallic Phases (ASM International, Materials Park, OH, 1991), 2nd edn.
Prototype Generator
aflow --proto=A4B5_tI18_87_h_ah --params=$a,c/a,x_{2},y_{2},x_{3},y_{3}$