Pd$_{5}$Pu$_{3}$ Structure: A5B3_oC32_63_cfg_ce-001
| Prototype | Pd$_{5}$Pu$_{3}$ |
| AFLOW prototype label | A5B3_oC32_63_cfg_ce-001 |
| ICSD | 350 |
| Pearson symbol | oC32 |
| Space group number | 63 |
| Space group symbol | $Cmcm$ |
| AFLOW prototype command |
aflow --proto=A5B3_oC32_63_cfg_ce-001
--params=$a, \allowbreak b/a, \allowbreak c/a, \allowbreak y_{1}, \allowbreak y_{2}, \allowbreak x_{3}, \allowbreak y_{4}, \allowbreak z_{4}, \allowbreak x_{5}, \allowbreak y_{5}$ |
Other compounds with this structure
Ga$_{5}$U$_{3}$, Ga$_{5}$Zr$_{3}$, In$_{5}$Ce$_{3}$, In$_{5}$Dy$_{3}$, In$_{5}$Er$_{3}$, In$_{5}$Gd$_{3}$, In$_{5}$Ho$_{3}$, In$_{5}$La$_{3}$, In$_{5}$Lu$_{3}$, In$_{5}$Nd$_{3}$, In$_{5}$Pr$_{3}$, In$_{5}$Sm$_{3}$, In$_{5}$Tb$_{3}$, In$_{5}$Th$_{3}$, In$_{5}$Y$_{3}$, Pb$_{5}$Ba$_{3}$, Pd$_{5}$Dy$_{3}$, Pd$_{5}$Er$_{3}$, Pd$_{5}$Gd$_{3}$, Pd$_{5}$Ho$_{3}$, Pd$_{5}$Lu$_{3}$, Pd$_{5}$Sc$_{3}$, Pd$_{5}$Tb$_{3}$, Pd$_{5}$Tm$_{3}$, Pd$_{5}$Y$_{3}$, Pd$_{5}$Yb$_{3}$, Rh$_{5}$Zr$_{3}$, Sn$_{5}$La$_{3}$, Sn$_{5}$Sr$_{3}$, Sn$_{5}$Yb$_{3}$, (Mg$_{x}$Sn$_{1-x}$)$_{5}$La$_{3}$
- Although (Massalski, 1990) lists Pd$_{5}$Pu$_{3}$ as the prototype for many structures, it is not shown in the assessed Pd-Pu phase diagram, which is based on data from 1967.
- (Cromer, 1976) states that this phase may be isostructural with Ga$_{5}$Zr$_{3}$, but at the time of publication the exact structure of that phase had not been solved.
\[ \begin{array}{ccc}
\mathbf{a_{1}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}- \frac{1}{2}b \,\mathbf{\hat{y}}\\\mathbf{a_{2}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{2}b \,\mathbf{\hat{y}}\\\mathbf{a_{3}}&=&c \,\mathbf{\hat{z}}
\end{array}\]
Basis vectors
| Lattice coordinates | Cartesian coordinates | Wyckoff position | Atom type | |||
|---|---|---|---|---|---|---|
| $\mathbf{B_{1}}$ | = | $- y_{1} \, \mathbf{a}_{1}+y_{1} \, \mathbf{a}_{2}+\frac{1}{4} \, \mathbf{a}_{3}$ | = | $b y_{1} \,\mathbf{\hat{y}}+\frac{1}{4}c \,\mathbf{\hat{z}}$ | (4c) | Pd I |
| $\mathbf{B_{2}}$ | = | $y_{1} \, \mathbf{a}_{1}- y_{1} \, \mathbf{a}_{2}+\frac{3}{4} \, \mathbf{a}_{3}$ | = | $- b y_{1} \,\mathbf{\hat{y}}+\frac{3}{4}c \,\mathbf{\hat{z}}$ | (4c) | Pd I |
| $\mathbf{B_{3}}$ | = | $- y_{2} \, \mathbf{a}_{1}+y_{2} \, \mathbf{a}_{2}+\frac{1}{4} \, \mathbf{a}_{3}$ | = | $b y_{2} \,\mathbf{\hat{y}}+\frac{1}{4}c \,\mathbf{\hat{z}}$ | (4c) | Pu I |
| $\mathbf{B_{4}}$ | = | $y_{2} \, \mathbf{a}_{1}- y_{2} \, \mathbf{a}_{2}+\frac{3}{4} \, \mathbf{a}_{3}$ | = | $- b y_{2} \,\mathbf{\hat{y}}+\frac{3}{4}c \,\mathbf{\hat{z}}$ | (4c) | Pu I |
| $\mathbf{B_{5}}$ | = | $x_{3} \, \mathbf{a}_{1}+x_{3} \, \mathbf{a}_{2}$ | = | $a x_{3} \,\mathbf{\hat{x}}$ | (8e) | Pu II |
| $\mathbf{B_{6}}$ | = | $- x_{3} \, \mathbf{a}_{1}- x_{3} \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ | = | $- a x_{3} \,\mathbf{\hat{x}}+\frac{1}{2}c \,\mathbf{\hat{z}}$ | (8e) | Pu II |
| $\mathbf{B_{7}}$ | = | $- x_{3} \, \mathbf{a}_{1}- x_{3} \, \mathbf{a}_{2}$ | = | $- a x_{3} \,\mathbf{\hat{x}}$ | (8e) | Pu II |
| $\mathbf{B_{8}}$ | = | $x_{3} \, \mathbf{a}_{1}+x_{3} \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ | = | $a x_{3} \,\mathbf{\hat{x}}+\frac{1}{2}c \,\mathbf{\hat{z}}$ | (8e) | Pu II |
| $\mathbf{B_{9}}$ | = | $- y_{4} \, \mathbf{a}_{1}+y_{4} \, \mathbf{a}_{2}+z_{4} \, \mathbf{a}_{3}$ | = | $b y_{4} \,\mathbf{\hat{y}}+c z_{4} \,\mathbf{\hat{z}}$ | (8f) | Pd II |
| $\mathbf{B_{10}}$ | = | $y_{4} \, \mathbf{a}_{1}- y_{4} \, \mathbf{a}_{2}+\left(z_{4} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- b y_{4} \,\mathbf{\hat{y}}+c \left(z_{4} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (8f) | Pd II |
| $\mathbf{B_{11}}$ | = | $- y_{4} \, \mathbf{a}_{1}+y_{4} \, \mathbf{a}_{2}- \left(z_{4} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $b y_{4} \,\mathbf{\hat{y}}- c \left(z_{4} - \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (8f) | Pd II |
| $\mathbf{B_{12}}$ | = | $y_{4} \, \mathbf{a}_{1}- y_{4} \, \mathbf{a}_{2}- z_{4} \, \mathbf{a}_{3}$ | = | $- b y_{4} \,\mathbf{\hat{y}}- c z_{4} \,\mathbf{\hat{z}}$ | (8f) | Pd II |
| $\mathbf{B_{13}}$ | = | $\left(x_{5} - y_{5}\right) \, \mathbf{a}_{1}+\left(x_{5} + y_{5}\right) \, \mathbf{a}_{2}+\frac{1}{4} \, \mathbf{a}_{3}$ | = | $a x_{5} \,\mathbf{\hat{x}}+b y_{5} \,\mathbf{\hat{y}}+\frac{1}{4}c \,\mathbf{\hat{z}}$ | (8g) | Pd III |
| $\mathbf{B_{14}}$ | = | $- \left(x_{5} - y_{5}\right) \, \mathbf{a}_{1}- \left(x_{5} + y_{5}\right) \, \mathbf{a}_{2}+\frac{3}{4} \, \mathbf{a}_{3}$ | = | $- a x_{5} \,\mathbf{\hat{x}}- b y_{5} \,\mathbf{\hat{y}}+\frac{3}{4}c \,\mathbf{\hat{z}}$ | (8g) | Pd III |
| $\mathbf{B_{15}}$ | = | $- \left(x_{5} + y_{5}\right) \, \mathbf{a}_{1}- \left(x_{5} - y_{5}\right) \, \mathbf{a}_{2}+\frac{1}{4} \, \mathbf{a}_{3}$ | = | $- a x_{5} \,\mathbf{\hat{x}}+b y_{5} \,\mathbf{\hat{y}}+\frac{1}{4}c \,\mathbf{\hat{z}}$ | (8g) | Pd III |
| $\mathbf{B_{16}}$ | = | $\left(x_{5} + y_{5}\right) \, \mathbf{a}_{1}+\left(x_{5} - y_{5}\right) \, \mathbf{a}_{2}+\frac{3}{4} \, \mathbf{a}_{3}$ | = | $a x_{5} \,\mathbf{\hat{x}}- b y_{5} \,\mathbf{\hat{y}}+\frac{3}{4}c \,\mathbf{\hat{z}}$ | (8g) | Pd III |
References
- D. T. Cromer, Plutonium-palladium Pu$_{3}$Pd$_{5}$, Acta Crystallogr. Sect. B 32, 1930–1932 (1976), doi:10.1107/S0567740876006778.
- T. B. Massalski, H. Okamoto, P. R. Subramanian, and L. Kacprzak, eds., Binary Alloy Phase Diagrams, vol. 1 (ASM International, Materials Park, Ohio, USA, 1990), 2$^n$$^d$ edn.
Found in
- A. Provino, N. S. Sangeetha, S. K. Dhar, V. Smetana, K. A. Gschneidner, V. K. Pecharsky, P. Manfrinetti, and A.-V. Mudring, New R$_{3}$Pd$_{5}$ Compounds (R = Sc, Y, Gd-Lu): Formation and Stability, Crystal Structure, and Antiferromagnetism, Crystal Growth & Design 16, 6001–6015 (2016), doi:10.1021/acs.cgd.6b01045.
Prototype Generator
aflow --proto=A5B3_oC32_63_cfg_ce --params=$a,b/a,c/a,y_{1},y_{2},x_{3},y_{4},z_{4},x_{5},y_{5}$