HoCuP2 Structure: ABC2_oC16_67_b_g_ag
| Prototype | : | HoCuP2 |
| AFLOW prototype label | : | ABC2_oC16_67_b_g_ag |
| Strukturbericht designation | : | None |
| Pearson symbol | : | oC16 |
| Space group number | : | 67 |
| Space group symbol | : | $Cmma$ |
| AFLOW prototype command | : | aflow --proto=ABC2_oC16_67_b_g_ag --params=$a,b/a,c/a,z_{3},z_{4}$ |
- Al2CuIr (A2BC_oC16_67_ag_b_g) and CuHoP2 (ABC2_oC16_67_b_g_ag) have similar AFLOW prototype labels (i.e., same symmetry and set of Wyckoff positions with different stoichiometry labels due to alphabetic ordering of atomic species). They are generated by the same symmetry operations with different sets of parameters (––params) specified in their corresponding CIF files.
Base-centered Orthorhombic primitive vectors:
\[
\begin{array}{ccc}
\mathbf{a}_1 & = & \frac12 \, a \, \mathbf{\hat{x}} - \frac12 \, b \, \mathbf{\hat{y}} \\
\mathbf{a}_2 & = & \frac12 \, a \, \mathbf{\hat{x}} + \frac12 \, b \, \mathbf{\hat{y}} \\
\mathbf{a}_3 & = & c \, \mathbf{\hat{z}} \\
\end{array}
\]
Basis vectors:
\[ \begin{array}{ccccccc} & & \mbox{Lattice Coordinates} & & \mbox{Cartesian Coordinates} &\mbox{Wyckoff Position} & \mbox{Atom Type} \\ \mathbf{B}_{1} & = & \frac{1}{4} \, \mathbf{a}_{1} + \frac{1}{4} \, \mathbf{a}_{2} & = & \frac{1}{4}a \, \mathbf{\hat{x}} & \left(4a\right) & \mbox{P I} \\ \mathbf{B}_{2} & = & \frac{3}{4} \, \mathbf{a}_{1} + \frac{3}{4} \, \mathbf{a}_{2} & = & \frac{3}{4}a \, \mathbf{\hat{x}} & \left(4a\right) & \mbox{P I} \\ \mathbf{B}_{3} & = & \frac{1}{4} \, \mathbf{a}_{1} + \frac{1}{4} \, \mathbf{a}_{2} + \frac{1}{2} \, \mathbf{a}_{3} & = & \frac{1}{4}a \, \mathbf{\hat{x}} + \frac{1}{2}c \, \mathbf{\hat{z}} & \left(4b\right) & \mbox{Cu} \\ \mathbf{B}_{4} & = & \frac{3}{4} \, \mathbf{a}_{1} + \frac{3}{4} \, \mathbf{a}_{2} + \frac{1}{2} \, \mathbf{a}_{3} & = & \frac{3}{4}a \, \mathbf{\hat{x}} + \frac{1}{2}c \, \mathbf{\hat{z}} & \left(4b\right) & \mbox{Cu} \\ \mathbf{B}_{5} & = & \frac{3}{4} \, \mathbf{a}_{1} + \frac{1}{4} \, \mathbf{a}_{2} + z_{3} \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{x}}- \frac{1}{4}b \, \mathbf{\hat{y}} + z_{3}c \, \mathbf{\hat{z}} & \left(4g\right) & \mbox{Ho} \\ \mathbf{B}_{6} & = & \frac{1}{4} \, \mathbf{a}_{1} + \frac{3}{4} \, \mathbf{a}_{2}-z_{3} \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{x}} + \frac{1}{4}b \, \mathbf{\hat{y}}-z_{3}c \, \mathbf{\hat{z}} & \left(4g\right) & \mbox{Ho} \\ \mathbf{B}_{7} & = & \frac{3}{4} \, \mathbf{a}_{1} + \frac{1}{4} \, \mathbf{a}_{2} + z_{4} \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{x}}- \frac{1}{4}b \, \mathbf{\hat{y}} + z_{4}c \, \mathbf{\hat{z}} & \left(4g\right) & \mbox{P II} \\ \mathbf{B}_{8} & = & \frac{1}{4} \, \mathbf{a}_{1} + \frac{3}{4} \, \mathbf{a}_{2}-z_{4} \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{x}} + \frac{1}{4}b \, \mathbf{\hat{y}}-z_{4}c \, \mathbf{\hat{z}} & \left(4g\right) & \mbox{P II} \\ \end{array} \]References
- Y. Mozharivsky, D. Kaczorowski, and H. F. Franzen, Symmetry–Breaking Transitions in HoCuAs2–xPx and ErCuAs2–xPx (x=0–2): Crystal Structure, Application of Landau Theory, Magnetic and Electrical Properties, Z. Anorg. Allg. Chem. 627, 2163–2172 (2001), doi:10.1002/1521-3749(200109)627:9%3C2163::AID-ZAAC2163%3E3.0.CO;2-N.
Found in
- P. Villars and K. Cenzual, Pearson's Crystal Data – Crystal Structure Database for Inorganic Compounds, ASM International (2013).