Ag[Co(NH3)2(NO2)4] ($J1_{9}$) Structure : ABC4D2E8_tP32_126_a_b_h_e_k

Picture of Structure; Click for Big Picture
Prototype : AgCoN4(NH3)2O8
AFLOW prototype label : ABC4D2E8_tP32_126_a_b_h_e_k
Strukturbericht designation : $J1_{9}$
Pearson symbol : tP32
Space group number : 126
Space group symbol : $P4/nnc$
AFLOW prototype command : aflow --proto=ABC4D2E8_tP32_126_a_b_h_e_k
--params=
$a$,$c/a$,$z_{3}$,$x_{4}$,$x_{5}$,$y_{5}$,$z_{5}$


  • The positions of the hydrogen atoms in the ammonia molecule are not determined, so we only provide the positions of the nitrogen atoms (labeled as NH3).
  • (Wells, 1936) gives the lattice coordinates in setting 1 of space group #126. We used FINDSYM to change this to the standard setting 2.

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} & = & \frac{1}{4} \, \mathbf{a}_{1} + \frac{1}{4} \, \mathbf{a}_{2} + \frac{1}{4} \, \mathbf{a}_{3} & = & \frac{1}{4}a \, \mathbf{\hat{x}} + \frac{1}{4}a \, \mathbf{\hat{y}} + \frac{1}{4}c \, \mathbf{\hat{z}} & \left(2a\right) & \mbox{Ag} \\ \mathbf{B}_{2} & = & \frac{3}{4} \, \mathbf{a}_{1} + \frac{3}{4} \, \mathbf{a}_{2} + \frac{3}{4} \, \mathbf{a}_{3} & = & \frac{3}{4}a \, \mathbf{\hat{x}} + \frac{3}{4}a \, \mathbf{\hat{y}} + \frac{3}{4}c \, \mathbf{\hat{z}} & \left(2a\right) & \mbox{Ag} \\ \mathbf{B}_{3} & = & \frac{1}{4} \, \mathbf{a}_{1} + \frac{1}{4} \, \mathbf{a}_{2} + \frac{3}{4} \, \mathbf{a}_{3} & = & \frac{1}{4}a \, \mathbf{\hat{x}} + \frac{1}{4}a \, \mathbf{\hat{y}} + \frac{3}{4}c \, \mathbf{\hat{z}} & \left(2b\right) & \mbox{Co} \\ \mathbf{B}_{4} & = & \frac{3}{4} \, \mathbf{a}_{1} + \frac{3}{4} \, \mathbf{a}_{2} + \frac{1}{4} \, \mathbf{a}_{3} & = & \frac{3}{4}a \, \mathbf{\hat{x}} + \frac{3}{4}a \, \mathbf{\hat{y}} + \frac{1}{4}c \, \mathbf{\hat{z}} & \left(2b\right) & \mbox{Co} \\ \mathbf{B}_{5} & = & \frac{1}{4} \, \mathbf{a}_{1} + \frac{1}{4} \, \mathbf{a}_{2} + z_{3} \, \mathbf{a}_{3} & = & \frac{1}{4}a \, \mathbf{\hat{x}} + \frac{1}{4}a \, \mathbf{\hat{y}} + z_{3}c \, \mathbf{\hat{z}} & \left(4e\right) & \mbox{NH$_{3}$} \\ \mathbf{B}_{6} & = & \frac{1}{4} \, \mathbf{a}_{1} + \frac{1}{4} \, \mathbf{a}_{2} + \left(\frac{1}{2} - z_{3}\right) \, \mathbf{a}_{3} & = & \frac{1}{4}a \, \mathbf{\hat{x}} + \frac{1}{4}a \, \mathbf{\hat{y}} + \left(\frac{1}{2}-z_{3}\right)c \, \mathbf{\hat{z}} & \left(4e\right) & \mbox{NH$_{3}$} \\ \mathbf{B}_{7} & = & \frac{3}{4} \, \mathbf{a}_{1} + \frac{3}{4} \, \mathbf{a}_{2}-z_{3} \, \mathbf{a}_{3} & = & \frac{3}{4}a \, \mathbf{\hat{x}} + \frac{3}{4}a \, \mathbf{\hat{y}}-z_{3}c \, \mathbf{\hat{z}} & \left(4e\right) & \mbox{NH$_{3}$} \\ \mathbf{B}_{8} & = & \frac{3}{4} \, \mathbf{a}_{1} + \frac{3}{4} \, \mathbf{a}_{2} + \left(\frac{1}{2} +z_{3}\right) \, \mathbf{a}_{3} & = & \frac{3}{4}a \, \mathbf{\hat{x}} + \frac{3}{4}a \, \mathbf{\hat{y}} + \left(\frac{1}{2} +z_{3}\right)c \, \mathbf{\hat{z}} & \left(4e\right) & \mbox{NH$_{3}$} \\ \mathbf{B}_{9} & = & x_{4} \, \mathbf{a}_{1} + x_{4} \, \mathbf{a}_{2} + \frac{1}{4} \, \mathbf{a}_{3} & = & x_{4}a \, \mathbf{\hat{x}} + x_{4}a \, \mathbf{\hat{y}} + \frac{1}{4}c \, \mathbf{\hat{z}} & \left(8h\right) & \mbox{N} \\ \mathbf{B}_{10} & = & \left(\frac{1}{2} - x_{4}\right) \, \mathbf{a}_{1} + \left(\frac{1}{2} - x_{4}\right) \, \mathbf{a}_{2} + \frac{1}{4} \, \mathbf{a}_{3} & = & \left(\frac{1}{2}-x_{4}\right)a \, \mathbf{\hat{x}} + \left(\frac{1}{2}-x_{4}\right)a \, \mathbf{\hat{y}} + \frac{1}{4}c \, \mathbf{\hat{z}} & \left(8h\right) & \mbox{N} \\ \mathbf{B}_{11} & = & \left(\frac{1}{2} - x_{4}\right) \, \mathbf{a}_{1} + x_{4} \, \mathbf{a}_{2} + \frac{1}{4} \, \mathbf{a}_{3} & = & \left(\frac{1}{2}-x_{4}\right)a \, \mathbf{\hat{x}} + x_{4}a \, \mathbf{\hat{y}} + \frac{1}{4}c \, \mathbf{\hat{z}} & \left(8h\right) & \mbox{N} \\ \mathbf{B}_{12} & = & x_{4} \, \mathbf{a}_{1} + \left(\frac{1}{2} - x_{4}\right) \, \mathbf{a}_{2} + \frac{1}{4} \, \mathbf{a}_{3} & = & x_{4}a \, \mathbf{\hat{x}} + \left(\frac{1}{2}-x_{4}\right)a \, \mathbf{\hat{y}} + \frac{1}{4}c \, \mathbf{\hat{z}} & \left(8h\right) & \mbox{N} \\ \mathbf{B}_{13} & = & -x_{4} \, \mathbf{a}_{1}-x_{4} \, \mathbf{a}_{2} + \frac{3}{4} \, \mathbf{a}_{3} & = & -x_{4}a \, \mathbf{\hat{x}}-x_{4}a \, \mathbf{\hat{y}} + \frac{3}{4}c \, \mathbf{\hat{z}} & \left(8h\right) & \mbox{N} \\ \mathbf{B}_{14} & = & \left(\frac{1}{2} +x_{4}\right) \, \mathbf{a}_{1} + \left(\frac{1}{2} +x_{4}\right) \, \mathbf{a}_{2} + \frac{3}{4} \, \mathbf{a}_{3} & = & \left(\frac{1}{2} +x_{4}\right)a \, \mathbf{\hat{x}} + \left(\frac{1}{2} +x_{4}\right)a \, \mathbf{\hat{y}} + \frac{3}{4}c \, \mathbf{\hat{z}} & \left(8h\right) & \mbox{N} \\ \mathbf{B}_{15} & = & \left(\frac{1}{2} +x_{4}\right) \, \mathbf{a}_{1}-x_{4} \, \mathbf{a}_{2} + \frac{3}{4} \, \mathbf{a}_{3} & = & \left(\frac{1}{2} +x_{4}\right)a \, \mathbf{\hat{x}}-x_{4}a \, \mathbf{\hat{y}} + \frac{3}{4}c \, \mathbf{\hat{z}} & \left(8h\right) & \mbox{N} \\ \mathbf{B}_{16} & = & -x_{4} \, \mathbf{a}_{1} + \left(\frac{1}{2} +x_{4}\right) \, \mathbf{a}_{2} + \frac{3}{4} \, \mathbf{a}_{3} & = & -x_{4}a \, \mathbf{\hat{x}} + \left(\frac{1}{2} +x_{4}\right)a \, \mathbf{\hat{y}} + \frac{3}{4}c \, \mathbf{\hat{z}} & \left(8h\right) & \mbox{N} \\ \mathbf{B}_{17} & = & x_{5} \, \mathbf{a}_{1} + y_{5} \, \mathbf{a}_{2} + z_{5} \, \mathbf{a}_{3} & = & x_{5}a \, \mathbf{\hat{x}} + y_{5}a \, \mathbf{\hat{y}} + z_{5}c \, \mathbf{\hat{z}} & \left(16k\right) & \mbox{O} \\ \mathbf{B}_{18} & = & \left(\frac{1}{2} - x_{5}\right) \, \mathbf{a}_{1} + \left(\frac{1}{2} - y_{5}\right) \, \mathbf{a}_{2} + z_{5} \, \mathbf{a}_{3} & = & \left(\frac{1}{2}-x_{5}\right)a \, \mathbf{\hat{x}} + \left(\frac{1}{2}-y_{5}\right)a \, \mathbf{\hat{y}} + z_{5}c \, \mathbf{\hat{z}} & \left(16k\right) & \mbox{O} \\ \mathbf{B}_{19} & = & \left(\frac{1}{2} - y_{5}\right) \, \mathbf{a}_{1} + x_{5} \, \mathbf{a}_{2} + z_{5} \, \mathbf{a}_{3} & = & \left(\frac{1}{2}-y_{5}\right)a \, \mathbf{\hat{x}} + x_{5}a \, \mathbf{\hat{y}} + z_{5}c \, \mathbf{\hat{z}} & \left(16k\right) & \mbox{O} \\ \mathbf{B}_{20} & = & y_{5} \, \mathbf{a}_{1} + \left(\frac{1}{2} - x_{5}\right) \, \mathbf{a}_{2} + z_{5} \, \mathbf{a}_{3} & = & y_{5}a \, \mathbf{\hat{x}} + \left(\frac{1}{2}-x_{5}\right)a \, \mathbf{\hat{y}} + z_{5}c \, \mathbf{\hat{z}} & \left(16k\right) & \mbox{O} \\ \mathbf{B}_{21} & = & \left(\frac{1}{2} - x_{5}\right) \, \mathbf{a}_{1} + y_{5} \, \mathbf{a}_{2} + \left(\frac{1}{2} - z_{5}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2}-x_{5}\right)a \, \mathbf{\hat{x}} + y_{5}a \, \mathbf{\hat{y}} + \left(\frac{1}{2}-z_{5}\right)c \, \mathbf{\hat{z}} & \left(16k\right) & \mbox{O} \\ \mathbf{B}_{22} & = & x_{5} \, \mathbf{a}_{1} + \left(\frac{1}{2} - y_{5}\right) \, \mathbf{a}_{2} + \left(\frac{1}{2} - z_{5}\right) \, \mathbf{a}_{3} & = & x_{5}a \, \mathbf{\hat{x}} + \left(\frac{1}{2}-y_{5}\right)a \, \mathbf{\hat{y}} + \left(\frac{1}{2}-z_{5}\right)c \, \mathbf{\hat{z}} & \left(16k\right) & \mbox{O} \\ \mathbf{B}_{23} & = & y_{5} \, \mathbf{a}_{1} + x_{5} \, \mathbf{a}_{2} + \left(\frac{1}{2} - z_{5}\right) \, \mathbf{a}_{3} & = & y_{5}a \, \mathbf{\hat{x}} + x_{5}a \, \mathbf{\hat{y}} + \left(\frac{1}{2}-z_{5}\right)c \, \mathbf{\hat{z}} & \left(16k\right) & \mbox{O} \\ \mathbf{B}_{24} & = & \left(\frac{1}{2} - y_{5}\right) \, \mathbf{a}_{1} + \left(\frac{1}{2} - x_{5}\right) \, \mathbf{a}_{2} + \left(\frac{1}{2} - z_{5}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2}-y_{5}\right)a \, \mathbf{\hat{x}} + \left(\frac{1}{2}-x_{5}\right)a \, \mathbf{\hat{y}} + \left(\frac{1}{2}-z_{5}\right)c \, \mathbf{\hat{z}} & \left(16k\right) & \mbox{O} \\ \mathbf{B}_{25} & = & -x_{5} \, \mathbf{a}_{1}-y_{5} \, \mathbf{a}_{2}-z_{5} \, \mathbf{a}_{3} & = & -x_{5}a \, \mathbf{\hat{x}}-y_{5}a \, \mathbf{\hat{y}}-z_{5}c \, \mathbf{\hat{z}} & \left(16k\right) & \mbox{O} \\ \mathbf{B}_{26} & = & \left(\frac{1}{2} +x_{5}\right) \, \mathbf{a}_{1} + \left(\frac{1}{2} +y_{5}\right) \, \mathbf{a}_{2}-z_{5} \, \mathbf{a}_{3} & = & \left(\frac{1}{2} +x_{5}\right)a \, \mathbf{\hat{x}} + \left(\frac{1}{2} +y_{5}\right)a \, \mathbf{\hat{y}}-z_{5}c \, \mathbf{\hat{z}} & \left(16k\right) & \mbox{O} \\ \mathbf{B}_{27} & = & \left(\frac{1}{2} +y_{5}\right) \, \mathbf{a}_{1}-x_{5} \, \mathbf{a}_{2}-z_{5} \, \mathbf{a}_{3} & = & \left(\frac{1}{2} +y_{5}\right)a \, \mathbf{\hat{x}}-x_{5}a \, \mathbf{\hat{y}}-z_{5}c \, \mathbf{\hat{z}} & \left(16k\right) & \mbox{O} \\ \mathbf{B}_{28} & = & -y_{5} \, \mathbf{a}_{1} + \left(\frac{1}{2} +x_{5}\right) \, \mathbf{a}_{2}-z_{5} \, \mathbf{a}_{3} & = & -y_{5}a \, \mathbf{\hat{x}} + \left(\frac{1}{2} +x_{5}\right)a \, \mathbf{\hat{y}}-z_{5}c \, \mathbf{\hat{z}} & \left(16k\right) & \mbox{O} \\ \mathbf{B}_{29} & = & \left(\frac{1}{2} +x_{5}\right) \, \mathbf{a}_{1}-y_{5} \, \mathbf{a}_{2} + \left(\frac{1}{2} +z_{5}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2} +x_{5}\right)a \, \mathbf{\hat{x}}-y_{5}a \, \mathbf{\hat{y}} + \left(\frac{1}{2} +z_{5}\right)c \, \mathbf{\hat{z}} & \left(16k\right) & \mbox{O} \\ \mathbf{B}_{30} & = & -x_{5} \, \mathbf{a}_{1} + \left(\frac{1}{2} +y_{5}\right) \, \mathbf{a}_{2} + \left(\frac{1}{2} +z_{5}\right) \, \mathbf{a}_{3} & = & -x_{5}a \, \mathbf{\hat{x}} + \left(\frac{1}{2} +y_{5}\right)a \, \mathbf{\hat{y}} + \left(\frac{1}{2} +z_{5}\right)c \, \mathbf{\hat{z}} & \left(16k\right) & \mbox{O} \\ \mathbf{B}_{31} & = & -y_{5} \, \mathbf{a}_{1}-x_{5} \, \mathbf{a}_{2} + \left(\frac{1}{2} +z_{5}\right) \, \mathbf{a}_{3} & = & -y_{5}a \, \mathbf{\hat{x}}-x_{5}a \, \mathbf{\hat{y}} + \left(\frac{1}{2} +z_{5}\right)c \, \mathbf{\hat{z}} & \left(16k\right) & \mbox{O} \\ \mathbf{B}_{32} & = & \left(\frac{1}{2} +y_{5}\right) \, \mathbf{a}_{1} + \left(\frac{1}{2} +x_{5}\right) \, \mathbf{a}_{2} + \left(\frac{1}{2} +z_{5}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2} +y_{5}\right)a \, \mathbf{\hat{x}} + \left(\frac{1}{2} +x_{5}\right)a \, \mathbf{\hat{y}} + \left(\frac{1}{2} +z_{5}\right)c \, \mathbf{\hat{z}} & \left(16k\right) & \mbox{O} \\ \end{array} \]

References

  • A. F. Wells, The Crystal Structure of Silver Diamminotetranitro–cobaltiate Ag[Co(NH3)2(NO2)4], Zeitschrift für Kristallographie – Crystalline Materials 95, 74–82 (1936), doi:10.1524/zkri.1936.95.1.74.

Found in

  • C. Gottfried, ed., Strukturbericht Band IV 1936 (Akademische Verlagsgesellschaft M. B. H., Leipzig, 1938).

Geometry files


Prototype Generator

aflow --proto=ABC4D2E8_tP32_126_a_b_h_e_k --params=

Species:

Running:

Output: