LaPtSi Structure: ABC_tI12_109_a_a_a-001
| Prototype | LaPtSi |
| AFLOW prototype label | ABC_tI12_109_a_a_a-001 |
| ICSD | 27224 |
| Pearson symbol | tI12 |
| Space group number | 109 |
| Space group symbol | $I4_1md$ |
| AFLOW prototype command |
aflow --proto=ABC_tI12_109_a_a_a-001
--params=$a, \allowbreak c/a, \allowbreak z_{1}, \allowbreak z_{2}, \allowbreak z_{3}$ |
Other compounds with this structure
EuPtAs, CeAlSi, CeIrP, CeNiSi, CePtSi, GdGaSi, LaAlGe, LaAlSi, LaIrP, LaNiSi, LaPrP, LaPtGe, LaRhAs, NdAlSi, NdIrP, NdNiSi, NdPtSi, PrAlGe, PrAlSi, PrIrP, PrPtSi, PtSmSi, SmAlSi
- The sample examined by (Klepp, 1982) has 2% silicon on the platinum site and 2% platinum on the silicon site.
\[ \begin{array}{ccc}
\mathbf{a_{1}}&=&- \frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{2}a \,\mathbf{\hat{y}}+\frac{1}{2}c \,\mathbf{\hat{z}}\\\mathbf{a_{2}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}- \frac{1}{2}a \,\mathbf{\hat{y}}+\frac{1}{2}c \,\mathbf{\hat{z}}\\\mathbf{a_{3}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{2}a \,\mathbf{\hat{y}}- \frac{1}{2}c \,\mathbf{\hat{z}}
\end{array}\]
Basis vectors
| Lattice coordinates | Cartesian coordinates | Wyckoff position | Atom type | |||
|---|---|---|---|---|---|---|
| $\mathbf{B_{1}}$ | = | $z_{1} \, \mathbf{a}_{1}+z_{1} \, \mathbf{a}_{2}$ | = | $c z_{1} \,\mathbf{\hat{z}}$ | (4a) | La I |
| $\mathbf{B_{2}}$ | = | $\left(z_{1} + \frac{3}{4}\right) \, \mathbf{a}_{1}+\left(z_{1} + \frac{1}{4}\right) \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{y}}+c \left(z_{1} + \frac{1}{4}\right) \,\mathbf{\hat{z}}$ | (4a) | La I |
| $\mathbf{B_{3}}$ | = | $z_{2} \, \mathbf{a}_{1}+z_{2} \, \mathbf{a}_{2}$ | = | $c z_{2} \,\mathbf{\hat{z}}$ | (4a) | Pt I |
| $\mathbf{B_{4}}$ | = | $\left(z_{2} + \frac{3}{4}\right) \, \mathbf{a}_{1}+\left(z_{2} + \frac{1}{4}\right) \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{y}}+c \left(z_{2} + \frac{1}{4}\right) \,\mathbf{\hat{z}}$ | (4a) | Pt I |
| $\mathbf{B_{5}}$ | = | $z_{3} \, \mathbf{a}_{1}+z_{3} \, \mathbf{a}_{2}$ | = | $c z_{3} \,\mathbf{\hat{z}}$ | (4a) | Si I |
| $\mathbf{B_{6}}$ | = | $\left(z_{3} + \frac{3}{4}\right) \, \mathbf{a}_{1}+\left(z_{3} + \frac{1}{4}\right) \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{y}}+c \left(z_{3} + \frac{1}{4}\right) \,\mathbf{\hat{z}}$ | (4a) | Si I |
References
- K. Klepp and E. Parthé, RPtSi phases (R = La, Ce, Pr, Nd, Sm and Gd) with an ordered ThSi$_{2}$ derivative structure, Acta Crystallogr. Sect. B 38, 1105–1108 (1982), doi:10.1107/S056774088200507X.
Found in
- P. Villars and K. Cenzual, Pearson's Crystal Data – Crystal Structure Database for Inorganic Compounds (2013). ASM International.
Prototype Generator
aflow --proto=ABC_tI12_109_a_a_a --params=$a,c/a,z_{1},z_{2},z_{3}$