Encyclopedia of Crystallographic Prototypes

AFLOW Prototype: AB6C_tP16_132_b_io_c-001

This structure originally had the label AB6C_tP16_132_d_io_a. Calls to that address will be redirected here.

If you are using this page, please cite:
D. Hicks, M. J. Mehl, E. Gossett, C. Toher, O. Levy, R. M. Hanson, G. L. W. Hart, and S. Curtarolo, The AFLOW Library of Crystallographic Prototypes: Part 2, Comp. Mat. Sci. 161, S1-S1011 (2019). (doi=10.1016/j.commatsci.2018.10.043)

Links to this page

https://aflow.org/p/U3ZM
or https://aflow.org/p/AB6C_tP16_132_b_io_c-001
or PDF Version

AgUF$_{6}$ Structure: AB6C_tP16_132_b_io_c-001

Picture of Structure; Click for Big Picture
Prototype AgF$_{6}$U
AFLOW prototype label AB6C_tP16_132_b_io_c-001
ICSD none
Pearson symbol tP16
Space group number 132
Space group symbol $P4_2/mcm$
AFLOW prototype command aflow --proto=AB6C_tP16_132_b_io_c-001
--params=$a, \allowbreak c/a, \allowbreak x_{3}, \allowbreak x_{4}, \allowbreak z_{4}$

Other compounds with this structure

RbUF$_{6}$,  TlUF$_{6}$,  (NH$_{4}$)UF$_{6}$


\[ \begin{array}{ccc} \mathbf{a_{1}}&=&a \,\mathbf{\hat{x}}\\\mathbf{a_{2}}&=&a \,\mathbf{\hat{y}}\\\mathbf{a_{3}}&=&c \,\mathbf{\hat{z}} \end{array}\]

Basis vectors

Lattice coordinates Cartesian coordinates Wyckoff position Atom type
$\mathbf{B_{1}}$ = $\frac{1}{4} \, \mathbf{a}_{3}$ = $\frac{1}{4}c \,\mathbf{\hat{z}}$ (2b) Ag I
$\mathbf{B_{2}}$ = $\frac{3}{4} \, \mathbf{a}_{3}$ = $\frac{3}{4}c \,\mathbf{\hat{z}}$ (2b) Ag I
$\mathbf{B_{3}}$ = $\frac{1}{2} \, \mathbf{a}_{1}+\frac{1}{2} \, \mathbf{a}_{2}$ = $\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{2}a \,\mathbf{\hat{y}}$ (2c) U I
$\mathbf{B_{4}}$ = $\frac{1}{2} \, \mathbf{a}_{1}+\frac{1}{2} \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ = $\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{2}a \,\mathbf{\hat{y}}+\frac{1}{2}c \,\mathbf{\hat{z}}$ (2c) U I
$\mathbf{B_{5}}$ = $x_{3} \, \mathbf{a}_{1}+x_{3} \, \mathbf{a}_{2}$ = $a x_{3} \,\mathbf{\hat{x}}+a x_{3} \,\mathbf{\hat{y}}$ (4i) F I
$\mathbf{B_{6}}$ = $- x_{3} \, \mathbf{a}_{1}- x_{3} \, \mathbf{a}_{2}$ = $- a x_{3} \,\mathbf{\hat{x}}- a x_{3} \,\mathbf{\hat{y}}$ (4i) F I
$\mathbf{B_{7}}$ = $- x_{3} \, \mathbf{a}_{1}+x_{3} \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ = $- a x_{3} \,\mathbf{\hat{x}}+a x_{3} \,\mathbf{\hat{y}}+\frac{1}{2}c \,\mathbf{\hat{z}}$ (4i) F I
$\mathbf{B_{8}}$ = $x_{3} \, \mathbf{a}_{1}- x_{3} \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ = $a x_{3} \,\mathbf{\hat{x}}- a x_{3} \,\mathbf{\hat{y}}+\frac{1}{2}c \,\mathbf{\hat{z}}$ (4i) F I
$\mathbf{B_{9}}$ = $x_{4} \, \mathbf{a}_{1}+x_{4} \, \mathbf{a}_{2}+z_{4} \, \mathbf{a}_{3}$ = $a x_{4} \,\mathbf{\hat{x}}+a x_{4} \,\mathbf{\hat{y}}+c z_{4} \,\mathbf{\hat{z}}$ (8o) F II
$\mathbf{B_{10}}$ = $- x_{4} \, \mathbf{a}_{1}- x_{4} \, \mathbf{a}_{2}+z_{4} \, \mathbf{a}_{3}$ = $- a x_{4} \,\mathbf{\hat{x}}- a x_{4} \,\mathbf{\hat{y}}+c z_{4} \,\mathbf{\hat{z}}$ (8o) F II
$\mathbf{B_{11}}$ = $- x_{4} \, \mathbf{a}_{1}+x_{4} \, \mathbf{a}_{2}+\left(z_{4} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $- a x_{4} \,\mathbf{\hat{x}}+a x_{4} \,\mathbf{\hat{y}}+c \left(z_{4} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ (8o) F II
$\mathbf{B_{12}}$ = $x_{4} \, \mathbf{a}_{1}- x_{4} \, \mathbf{a}_{2}+\left(z_{4} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $a x_{4} \,\mathbf{\hat{x}}- a x_{4} \,\mathbf{\hat{y}}+c \left(z_{4} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ (8o) F II
$\mathbf{B_{13}}$ = $- x_{4} \, \mathbf{a}_{1}+x_{4} \, \mathbf{a}_{2}- \left(z_{4} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $- a x_{4} \,\mathbf{\hat{x}}+a x_{4} \,\mathbf{\hat{y}}- c \left(z_{4} - \frac{1}{2}\right) \,\mathbf{\hat{z}}$ (8o) F II
$\mathbf{B_{14}}$ = $x_{4} \, \mathbf{a}_{1}- x_{4} \, \mathbf{a}_{2}- \left(z_{4} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $a x_{4} \,\mathbf{\hat{x}}- a x_{4} \,\mathbf{\hat{y}}- c \left(z_{4} - \frac{1}{2}\right) \,\mathbf{\hat{z}}$ (8o) F II
$\mathbf{B_{15}}$ = $x_{4} \, \mathbf{a}_{1}+x_{4} \, \mathbf{a}_{2}- z_{4} \, \mathbf{a}_{3}$ = $a x_{4} \,\mathbf{\hat{x}}+a x_{4} \,\mathbf{\hat{y}}- c z_{4} \,\mathbf{\hat{z}}$ (8o) F II
$\mathbf{B_{16}}$ = $- x_{4} \, \mathbf{a}_{1}- x_{4} \, \mathbf{a}_{2}- z_{4} \, \mathbf{a}_{3}$ = $- a x_{4} \,\mathbf{\hat{x}}- a x_{4} \,\mathbf{\hat{y}}- c z_{4} \,\mathbf{\hat{z}}$ (8o) F II

References

  • P. Charpin, Structure cristalline des hexafluorures complexes d'uranium V et d'argent, de potassium, d'ammonium, de rubidium ou de thallium, C. R. Hebd. Séances Acad. Sci. 260, 1914–1916 (1965).

Found in

  • P. Villars, AgUF6 Crystal Structure (2016). PAULING FILE in: Inorganic Solid Phases, SpringerMaterials (online database).

Prototype Generator

aflow --proto=AB6C_tP16_132_b_io_c --params=$a,c/a,x_{3},x_{4},z_{4}$

Species:

Running:

Output: