TlAlF4 ($H0_8$) Structure : AB4C_tP6_123_d_eh_a

Picture of Structure; Click for Big Picture
Prototype : AlF4Tl
AFLOW prototype label : AB4C_tP6_123_d_eh_a
Strukturbericht designation : $H0_{8}$
Pearson symbol : tP6
Space group number : 123
Space group symbol : $P4/mmm$
AFLOW prototype command : aflow --proto=AB4C_tP6_123_d_eh_a
--params=
$a$,$c/a$,$z_{4}$


Other compounds with this structure

  • $\beta$–RbFeF4, CsFeF4, KAlF4, and RbAlF4

Simple Tetragonal primitive vectors:

\[ \begin{array}{ccc} \mathbf{a}_1 & = & a \, \mathbf{\hat{x}} \\ \mathbf{a}_2 & = & a \, \mathbf{\hat{y}} \\ \mathbf{a}_3 & = & c \, \mathbf{\hat{z}} \\ \end{array} \]

Basis vectors:

\[ \begin{array}{ccccccc} & & \mbox{Lattice Coordinates} & & \mbox{Cartesian Coordinates} &\mbox{Wyckoff Position} & \mbox{Atom Type} \\ \mathbf{B}_{1} & = & 0 \, \mathbf{a}_{1} + 0 \, \mathbf{a}_{2} + 0 \, \mathbf{a}_{3} & = & 0 \, \mathbf{\hat{x}} + 0 \, \mathbf{\hat{y}} + 0 \, \mathbf{\hat{z}} & \left(1a\right) & \mbox{Tl} \\ \mathbf{B}_{2} & = & \frac{1}{2} \, \mathbf{a}_{1} + \frac{1}{2} \, \mathbf{a}_{2} + \frac{1}{2} \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{x}} + \frac{1}{2}a \, \mathbf{\hat{y}} + \frac{1}{2}c \, \mathbf{\hat{z}} & \left(1d\right) & \mbox{Al} \\ \mathbf{B}_{3} & = & \frac{1}{2} \, \mathbf{a}_{2} + \frac{1}{2} \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{y}} + \frac{1}{2}c \, \mathbf{\hat{z}} & \left(2e\right) & \mbox{F I} \\ \mathbf{B}_{4} & = & \frac{1}{2} \, \mathbf{a}_{1} + \frac{1}{2} \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{x}} + \frac{1}{2}c \, \mathbf{\hat{z}} & \left(2e\right) & \mbox{F I} \\ \mathbf{B}_{5} & = & \frac{1}{2} \, \mathbf{a}_{1} + \frac{1}{2} \, \mathbf{a}_{2} + z_{4} \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{x}} + \frac{1}{2}a \, \mathbf{\hat{y}} + z_{4}c \, \mathbf{\hat{z}} & \left(2h\right) & \mbox{F II} \\ \mathbf{B}_{6} & = & \frac{1}{2} \, \mathbf{a}_{1} + \frac{1}{2} \, \mathbf{a}_{2}-z_{4} \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{x}} + \frac{1}{2}a \, \mathbf{\hat{y}}-z_{4}c \, \mathbf{\hat{z}} & \left(2h\right) & \mbox{F II} \\ \end{array} \]

References

  • C. Brosset, Herstellung und Kristallbau der Verbindungen TlAlF4 und Tl2AlF5, Z. Anorg. Allg. Chem. 235, 139–147 (1937), doi:10.1002/zaac.19372350119.

Found in

  • A. Pabst, A Structural Classification of Fluoaluminates, Am. Mineral. 35, 149–165 (1950).

Geometry files


Prototype Generator

aflow --proto=AB4C_tP6_123_d_eh_a --params=

Species:

Running:

Output: