Ti5Te4 Structure: A4B5_tI18_87_h_ah

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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

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.

Geometry files


Prototype Generator

aflow --proto=A4B5_tI18_87_h_ah --params=

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