GeP (High-pressure, superconducting) Structure: AB_tI4_107_a_a-001
| Prototype | GeP |
| AFLOW prototype label | AB_tI4_107_a_a-001 |
| ICSD | 17032 |
| Pearson symbol | tI4 |
| Space group number | 107 |
| Space group symbol | $I4mm$ |
| AFLOW prototype command |
aflow --proto=AB_tI4_107_a_a-001
--params=$a, \allowbreak c/a, \allowbreak z_{1}, \allowbreak z_{2}$ |
Other compounds with this structure
GeAs, PdSn
- We use the (Donohue, 1970) data taken at 700°C and 45 kB.
- Space group $I4mm$ #107 allows an arbitrary placement of the origin of the $z$-axis. Here we set $z_{1} = 0$ for the germanium atoms.
\[ \begin{array}{ccc}
\mathbf{a_{1}}&=&- \frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{2}a \,\mathbf{\hat{y}}+\frac{1}{2}c \,\mathbf{\hat{z}}\\\mathbf{a_{2}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}- \frac{1}{2}a \,\mathbf{\hat{y}}+\frac{1}{2}c \,\mathbf{\hat{z}}\\\mathbf{a_{3}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{2}a \,\mathbf{\hat{y}}- \frac{1}{2}c \,\mathbf{\hat{z}}
\end{array}\]
Basis vectors
| Lattice coordinates | Cartesian coordinates | Wyckoff position | Atom type | |||
|---|---|---|---|---|---|---|
| $\mathbf{B_{1}}$ | = | $z_{1} \, \mathbf{a}_{1}+z_{1} \, \mathbf{a}_{2}$ | = | $c z_{1} \,\mathbf{\hat{z}}$ | (2a) | Ge I |
| $\mathbf{B_{2}}$ | = | $z_{2} \, \mathbf{a}_{1}+z_{2} \, \mathbf{a}_{2}$ | = | $c z_{2} \,\mathbf{\hat{z}}$ | (2a) | P I |
References
- P. C. Donohue and H. S. Young, Synthesis, structure, and superconductivity of new high pressure phases in the systems Ge–P and Ge–s, J. Solid State Chem. 1, 143–149 (1970), doi:10.1016/0022-4596(70)90005-8.
Found in
- P. Villars and K. Cenzual, Pearson's Crystal Data – Crystal Structure Database for Inorganic Compounds (2013). ASM International.
Prototype Generator
aflow --proto=AB_tI4_107_a_a --params=$a,c/a,z_{1},z_{2}$