AsCuSiZr Structure: ABCD_tP8_129_c_b_a_c
| Prototype | : | AsCuSiZr |
| AFLOW prototype label | : | ABCD_tP8_129_c_b_a_c |
| Strukturbericht designation | : | None |
| Pearson symbol | : | tP8 |
| Space group number | : | 129 |
| Space group symbol | : | $\mbox{P4/nmm}$ |
| AFLOW prototype command | : | aflow --proto=ABCD_tP8_129_c_b_a_c --params=$a,c/a,z_{3},z_{4}$ |
Other compounds with this structure
- LaOFeAs, AsCuHfSi, As2CuU, Bi2CuMn, CoLiSb2, CuGe2Hf, LaMnSb2, NiPrSb2
- This is the parent structure for the iron-pnictide superconductors.
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:
\[ \begin{array}{ccccccc} & & \mbox{Lattice Coordinates} & & \mbox{Cartesian Coordinates} &\mbox{Wyckoff Position} & \mbox{Atom Type} \\ \mathbf{B}_{1} & =&\frac34 \, \mathbf{a}_{1}+ \frac14 \, \mathbf{a}_{2}& =& \frac34 \, a \, \mathbf{\hat{x}}+ \frac14 \, a \, \mathbf{\hat{y}}& \left(2a\right) & \mbox{Si} \\ \mathbf{B}_{2} & =&\frac14 \, \mathbf{a}_{1}+ \frac34 \, \mathbf{a}_{2}& =&\frac14 \, a \, \mathbf{\hat{x}}+ \frac34 \, a \, \mathbf{\hat{y}}& \left(2a\right) & \mbox{Si} \\ \mathbf{B}_{3} & =&\frac34 \, \mathbf{a}_{1}+ \frac14 \, \mathbf{a}_{2}+ \frac12 \, \mathbf{a}_{3}& =& \frac34 \, a \, \mathbf{\hat{x}}+ \frac14 \, a \, \mathbf{\hat{y}}+ \frac12 \, c \, \mathbf{\hat{z}}& \left(2b\right) & \mbox{Cu} \\ \mathbf{B}_{4} & =&\frac14 \, \mathbf{a}_{1}+ \frac34 \, \mathbf{a}_{2}+ \frac12 \, \mathbf{a}_{3}& =&\frac14 \, a \, \mathbf{\hat{x}}+ \frac34 \, a \, \mathbf{\hat{y}}+ \frac12 \, c \, \mathbf{\hat{z}}& \left(2b\right) & \mbox{Cu} \\ \mathbf{B}_{5} & =&\frac14 \, \mathbf{a}_{1}+ \frac14 \, \mathbf{a}_{2}+ z_{3} \, \mathbf{a}_{3}& =&\frac14 \, a \, \mathbf{\hat{x}}+ \frac14 \, a \, \mathbf{\hat{y}}+ z_{3} \, c \, \mathbf{\hat{z}}& \left(2c\right) & \mbox{As} \\ \mathbf{B}_{6} & =&\frac34 \, \mathbf{a}_{1}+ \frac34 \, \mathbf{a}_{2}- z_{3} \, \mathbf{a}_{3}& =&\frac34 \, a \, \mathbf{\hat{x}}+ \frac34 \, a \, \mathbf{\hat{y}}- z_{3} \, c \, \mathbf{\hat{z}}& \left(2c\right) & \mbox{As} \\ \mathbf{B}_{7} & =&\frac14 \, \mathbf{a}_{1}+ \frac14 \, \mathbf{a}_{2}+ z_{4} \, \mathbf{a}_{3}& =&\frac14 \, a \, \mathbf{\hat{x}}+ \frac14 \, a \, \mathbf{\hat{y}}+ z_{4} \, c \, \mathbf{\hat{z}}& \left(2c\right) & \mbox{Zr} \\ \mathbf{B}_{8} & =&\frac34 \, \mathbf{a}_{1}+ \frac34 \, \mathbf{a}_{2}- z_{4} \, \mathbf{a}_{3}& =&\frac34 \, a \, \mathbf{\hat{x}}+ \frac34 \, a \, \mathbf{\hat{y}}- z_{4} \, c \, \mathbf{\hat{z}}& \left(2c\right) & \mbox{Zr} \\ \end{array} \]References
- V. Johnson and W. Jeitschko, ZrCuSiAs: A
filled
PbFCl type, J. Solid State Chem. 11, 161–166 (1974), doi:10.1016/0022-4596(74)90111-X.
Found in
- P. Villars and L. Calvert, Pearson's Handbook of Crystallographic Data for Intermetallic Phases (ASM International, Materials Park, OH, 1991), 2nd edn., pp. 1116.