CaRbFe4As4 (Superconducting) Structure: A4BC4D_tP10_123_gh_a_i_d

Picture of Structure; Click for Big Picture
Prototype : CaRbFe4As4
AFLOW prototype label : A4BC4D_tP10_123_gh_a_i_d
Strukturbericht designation : None
Pearson symbol : tP10
Space group number : 123
Space group symbol : $P4/mmm$
AFLOW prototype command : aflow --proto=A4BC4D_tP10_123_gh_a_i_d
--params=
$a$,$c/a$,$z_{3}$,$z_{4}$,$z_{5}$


Other compounds with this structure

  • CaKFe4As4, CaCsFe4As4, SrRbFe4As4, SrCsFe4As4, BaCsFe4As4

  • These compounds form a family of stoichiometric superconductors with transition temperatures $T_{\mathrm{c}}$ ranging from 26–37 K.

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{Ca} \\ \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{Rb} \\ \mathbf{B}_{3} & = & z_{3} \, \mathbf{a}_{3} & = & z_{3}c \, \mathbf{\hat{z}} & \left(2g\right) & \mbox{As I} \\ \mathbf{B}_{4} & = & -z_{3} \, \mathbf{a}_{3} & = & -z_{3}c \, \mathbf{\hat{z}} & \left(2g\right) & \mbox{As 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{As 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{As II} \\ \mathbf{B}_{7} & = & \frac{1}{2} \, \mathbf{a}_{2} + z_{5} \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{y}} + z_{5}c \, \mathbf{\hat{z}} & \left(4i\right) & \mbox{Fe} \\ \mathbf{B}_{8} & = & \frac{1}{2} \, \mathbf{a}_{1} + z_{5} \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{x}} + z_{5}c \, \mathbf{\hat{z}} & \left(4i\right) & \mbox{Fe} \\ \mathbf{B}_{9} & = & \frac{1}{2} \, \mathbf{a}_{2}-z_{5} \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{y}}-z_{5}c \, \mathbf{\hat{z}} & \left(4i\right) & \mbox{Fe} \\ \mathbf{B}_{10} & = & \frac{1}{2} \, \mathbf{a}_{1}-z_{5} \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{x}}-z_{5}c \, \mathbf{\hat{z}} & \left(4i\right) & \mbox{Fe} \\ \end{array} \]

References

  • A. Iyo, K. Kawashima, T. Kinjo, T. Nishio, S. Ishida, H. Fujihisa, Y. Gotoh, K. Kihou, H. Eisaki, and Y. Yoshida, New–Structure–Type Fe–Based Superconductors: CaAFe4As4 (A = K, Rb, Cs) and SrAFe4As4 (A = Rb, Cs), J. Am. Chem. Soc. 138, 3410–3415 (2016), doi:10.1021/jacs.5b12571.

Geometry files


Prototype Generator

aflow --proto=A4BC4D_tP10_123_gh_a_i_d --params=

Species:

Running:

Output: