Ti5Te4 Structure: A4B5_tI18_87_h_ah
| Prototype | : | Ti5Te4 |
| AFLOW prototype label | : | A4B5_tI18_87_h_ah |
| Strukturbericht designation | : | None |
| Pearson symbol | : | tI18 |
| Space group number | : | 87 |
| Space group symbol | : | $\mbox{I4/m}$ |
| AFLOW prototype command | : | aflow --proto=A4B5_tI18_87_h_ah --params=$a,c/a,x_{2},y_{2},x_{3},y_{3}$ |
Other compounds with this structure
- Nb5Sb4, Nb5Se4, Nb5Te4, Ta5Sb4, and V5Se4
Body-centered Tetragonal primitive vectors:
\[
\begin{array}{ccc}
\mathbf{a}_1 & = & - \frac12 \, a \, \mathbf{\hat{x}} + \frac12 \, a \, \mathbf{\hat{y}} + \frac12 \, c \, \mathbf{\hat{z}}\\
\mathbf{a}_2 & = & ~ \frac12 \, a \, \mathbf{\hat{x}} - \frac12 \, a \, \mathbf{\hat{y}} + \frac12 \, c \, \mathbf{\hat{z}}\\
\mathbf{a}_3 & = & ~ \frac12 \, a \, \mathbf{\hat{x}} + \frac12 \, a \, \mathbf{\hat{y}} - \frac12 \, c \, \mathbf{\hat{z}}\\
\end{array}
\]
Basis vectors:
\[ \begin{array}{ccccccc} & & \mbox{Lattice Coordinates} & & \mbox{Cartesian Coordinates} &\mbox{Wyckoff Position} & \mbox{Atom Type} \\ \mathbf{B}_{1} & = & 0 \, \mathbf{a}_{1} + 0 \, \mathbf{a}_{2} + 0 \, \mathbf{a}_{3} & = & 0 \mathbf{\hat{x}} + 0 \mathbf{\hat{y}} + 0 \mathbf{\hat{z}} & \left(2a\right) & \mbox{Ti I} \\ \mathbf{B}_{2} & = &y_{2} \, \mathbf{a}_{1}+ x_{2} \, \mathbf{a}_{2}+ \left(x_{2} + y_{2}\right) \, \mathbf{a}_{3}& = &x_{2} \, a \, \mathbf{\hat{x}}+ y_{2} \, a \, \mathbf{\hat{y}}& \left(8h\right) & \mbox{Te} \\ \mathbf{B}_{3} & = &- y_{2} \, \mathbf{a}_{1}- x_{2} \, \mathbf{a}_{2}- \left(x_{2} + y_{2}\right) \, \mathbf{a}_{3}& = &- x_{2} \, a \, \mathbf{\hat{x}}- y_{2} \, a \, \mathbf{\hat{y}}& \left(8h\right) & \mbox{Te} \\ \mathbf{B}_{4} & = &x_{2} \, \mathbf{a}_{1}- y_{2} \, \mathbf{a}_{2}+ \left(x_{2} - y_{2}\right) \, \mathbf{a}_{3}& = &- y_{2} \, a \, \mathbf{\hat{x}}+ x_{2} \, a \, \mathbf{\hat{y}}& \left(8h\right) & \mbox{Te} \\ \mathbf{B}_{5} & = &- x_{2} \, \mathbf{a}_{1}+ y_{2} \, \mathbf{a}_{2}+ \left(y_{2} - x_{2}\right) \, \mathbf{a}_{3}& = &y_{2} \, a \, \mathbf{\hat{x}}- x_{2} \, a \, \mathbf{\hat{y}}& \left(8h\right) & \mbox{Te} \\ \mathbf{B}_{6} & = &y_{3} \, \mathbf{a}_{1}+ x_{3} \, \mathbf{a}_{2}+ \left(x_{3} + y_{3}\right) \, \mathbf{a}_{3}& = &x_{3} \, a \, \mathbf{\hat{x}}+ y_{3} \, a \, \mathbf{\hat{y}}& \left(8h\right) & \mbox{Ti II} \\ \mathbf{B}_{7} & = &- y_{3} \, \mathbf{a}_{1}- x_{3} \, \mathbf{a}_{2}- \left(x_{3} + y_{3}\right) \, \mathbf{a}_{3}& = &- x_{3} \, a \, \mathbf{\hat{x}}- y_{3} \, a \, \mathbf{\hat{y}}& \left(8h\right) & \mbox{Ti II} \\ \mathbf{B}_{8} & = &x_{3} \, \mathbf{a}_{1}- y_{3} \, \mathbf{a}_{2}+ \left(x_{3} - y_{3}\right) \, \mathbf{a}_{3}& = &- y_{3} \, a \, \mathbf{\hat{x}}+ x_{3} \, a \, \mathbf{\hat{y}}& \left(8h\right) & \mbox{Ti II} \\ \mathbf{B}_{9} & = &- x_{3} \, \mathbf{a}_{1}+ y_{3} \, \mathbf{a}_{2}+ \left(y_{3} - x_{3}\right) \, \mathbf{a}_{3}& = &y_{3} \, a \, \mathbf{\hat{x}}- x_{3} \, a \, \mathbf{\hat{y}}& \left(8h\right) & \mbox{Ti II} \\ \end{array} \]References
- F. Gronvold, A. Kjekshus, and F. Raaum, The crystal structure of Ti5Te4, 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., pp. 5321.