$F5_{4}$ (NH4ClO2) (obsolete) Structure : ABC2_tP8_100_b_a_c

Picture of Structure; Click for Big Picture
Prototype : Cl(NH4)O2
AFLOW prototype label : ABC2_tP8_100_b_a_c
Strukturbericht designation : $F5_{4}$
Pearson symbol : tP8
Space group number : 100
Space group symbol : $P4bm$
AFLOW prototype command : aflow --proto=ABC2_tP8_100_b_a_c
--params=
$a$,$c/a$,$z_{1}$,$z_{2}$,$x_{3}$,$z_{3}$



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:

\[ \begin{array}{ccccccc} & & \mbox{Lattice Coordinates} & & \mbox{Cartesian Coordinates} &\mbox{Wyckoff Position} & \mbox{Atom Type} \\ \mathbf{B}_{1} & = & z_{1} \, \mathbf{a}_{3} & = & z_{1}c \, \mathbf{\hat{z}} & \left(2a\right) & \mbox{NH$_{4}$} \\ \mathbf{B}_{2} & = & \frac{1}{2} \, \mathbf{a}_{1} + \frac{1}{2} \, \mathbf{a}_{2} + z_{1} \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{x}} + \frac{1}{2}a \, \mathbf{\hat{y}} + z_{1}c \, \mathbf{\hat{z}} & \left(2a\right) & \mbox{NH$_{4}$} \\ \mathbf{B}_{3} & = & \frac{1}{2} \, \mathbf{a}_{1} + z_{2} \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{x}} + z_{2}c \, \mathbf{\hat{z}} & \left(2b\right) & \mbox{Cl} \\ \mathbf{B}_{4} & = & \frac{1}{2} \, \mathbf{a}_{2} + z_{2} \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{y}} + z_{2}c \, \mathbf{\hat{z}} & \left(2b\right) & \mbox{Cl} \\ \mathbf{B}_{5} & = & x_{3} \, \mathbf{a}_{1} + \left(\frac{1}{2} +x_{3}\right) \, \mathbf{a}_{2} + z_{3} \, \mathbf{a}_{3} & = & x_{3}a \, \mathbf{\hat{x}} + \left(\frac{1}{2} +x_{3}\right)a \, \mathbf{\hat{y}} + z_{3}c \, \mathbf{\hat{z}} & \left(4c\right) & \mbox{O} \\ \mathbf{B}_{6} & = & -x_{3} \, \mathbf{a}_{1} + \left(\frac{1}{2} - x_{3}\right) \, \mathbf{a}_{2} + z_{3} \, \mathbf{a}_{3} & = & -x_{3}a \, \mathbf{\hat{x}} + \left(\frac{1}{2}-x_{3}\right)a \, \mathbf{\hat{y}} + z_{3}c \, \mathbf{\hat{z}} & \left(4c\right) & \mbox{O} \\ \mathbf{B}_{7} & = & \left(\frac{1}{2} - x_{3}\right) \, \mathbf{a}_{1} + x_{3} \, \mathbf{a}_{2} + z_{3} \, \mathbf{a}_{3} & = & \left(\frac{1}{2}-x_{3}\right)a \, \mathbf{\hat{x}} + x_{3}a \, \mathbf{\hat{y}} + z_{3}c \, \mathbf{\hat{z}} & \left(4c\right) & \mbox{O} \\ \mathbf{B}_{8} & = & \left(\frac{1}{2} +x_{3}\right) \, \mathbf{a}_{1}-x_{3} \, \mathbf{a}_{2} + z_{3} \, \mathbf{a}_{3} & = & \left(\frac{1}{2} +x_{3}\right)a \, \mathbf{\hat{x}}-x_{3}a \, \mathbf{\hat{y}} + z_{3}c \, \mathbf{\hat{z}} & \left(4c\right) & \mbox{O} \\ \end{array} \]

References

  • G. R. Levi and A. Scherillo, Ricerche cristallografiche sui sali dell'acido cloroso, Zeitschrift für Kristallographie – Crystalline Materials 76, 431–452 (1931), doi:10.1524/zkri.1931.76.1.431.
  • A. I. Smolentsev and D. Y. Naumov, Ammonium chlorite, NH4ClO2, at 150 K, Acta Crystallogr. E 61, i38–i40 (2005), doi:10.1107/S1600536805005088.

Found in

  • C. Hermann, O. Lohrmann, and H. Philipp, eds., Strukturbericht Band II 1928–1932 (Akademische Verlagsgesellschaft M. B. H., Leipzig, 1937).

Geometry files


Prototype Generator

aflow --proto=ABC2_tP8_100_b_a_c --params=

Species:

Running:

Output: