Rb$_{2}$P$_{3}$ Structure: A3B2_oF40_69_hm_fg-001
| Prototype | P$_{3}$Rb$_{2}$ |
| AFLOW prototype label | A3B2_oF40_69_hm_fg-001 |
| ICSD | 65184 |
| CCDC | 1160102 |
| Pearson symbol | oF40 |
| Space group number | 69 |
| Space group symbol | $Fmmm$ |
| AFLOW prototype command |
aflow --proto=A3B2_oF40_69_hm_fg-001
--params=$a, \allowbreak b/a, \allowbreak c/a, \allowbreak x_{2}, \allowbreak y_{3}, \allowbreak y_{4}, \allowbreak z_{4}$ |
Other compounds with this structure
Cs$_{2}$P$_{3}$
\[ \begin{array}{ccc}
\mathbf{a_{1}}&=&\frac{1}{2}b \,\mathbf{\hat{y}}+\frac{1}{2}c \,\mathbf{\hat{z}}\\\mathbf{a_{2}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{2}c \,\mathbf{\hat{z}}\\\mathbf{a_{3}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{2}b \,\mathbf{\hat{y}}
\end{array}\]
Basis vectors
| Lattice coordinates | Cartesian coordinates | Wyckoff position | Atom type | |||
|---|---|---|---|---|---|---|
| $\mathbf{B_{1}}$ | = | $\frac{1}{4} \, \mathbf{a}_{1}+\frac{1}{4} \, \mathbf{a}_{2}+\frac{1}{4} \, \mathbf{a}_{3}$ | = | $\frac{1}{4}a \,\mathbf{\hat{x}}+\frac{1}{4}b \,\mathbf{\hat{y}}+\frac{1}{4}c \,\mathbf{\hat{z}}$ | (8f) | Rb I |
| $\mathbf{B_{2}}$ | = | $\frac{3}{4} \, \mathbf{a}_{1}+\frac{3}{4} \, \mathbf{a}_{2}+\frac{3}{4} \, \mathbf{a}_{3}$ | = | $\frac{3}{4}a \,\mathbf{\hat{x}}+\frac{3}{4}b \,\mathbf{\hat{y}}+\frac{3}{4}c \,\mathbf{\hat{z}}$ | (8f) | Rb I |
| $\mathbf{B_{3}}$ | = | $- x_{2} \, \mathbf{a}_{1}+x_{2} \, \mathbf{a}_{2}+x_{2} \, \mathbf{a}_{3}$ | = | $a x_{2} \,\mathbf{\hat{x}}$ | (8g) | Rb II |
| $\mathbf{B_{4}}$ | = | $x_{2} \, \mathbf{a}_{1}- x_{2} \, \mathbf{a}_{2}- x_{2} \, \mathbf{a}_{3}$ | = | $- a x_{2} \,\mathbf{\hat{x}}$ | (8g) | Rb II |
| $\mathbf{B_{5}}$ | = | $y_{3} \, \mathbf{a}_{1}- y_{3} \, \mathbf{a}_{2}+y_{3} \, \mathbf{a}_{3}$ | = | $b y_{3} \,\mathbf{\hat{y}}$ | (8h) | P I |
| $\mathbf{B_{6}}$ | = | $- y_{3} \, \mathbf{a}_{1}+y_{3} \, \mathbf{a}_{2}- y_{3} \, \mathbf{a}_{3}$ | = | $- b y_{3} \,\mathbf{\hat{y}}$ | (8h) | P I |
| $\mathbf{B_{7}}$ | = | $\left(y_{4} + z_{4}\right) \, \mathbf{a}_{1}- \left(y_{4} - z_{4}\right) \, \mathbf{a}_{2}+\left(y_{4} - z_{4}\right) \, \mathbf{a}_{3}$ | = | $b y_{4} \,\mathbf{\hat{y}}+c z_{4} \,\mathbf{\hat{z}}$ | (16m) | P II |
| $\mathbf{B_{8}}$ | = | $- \left(y_{4} - z_{4}\right) \, \mathbf{a}_{1}+\left(y_{4} + z_{4}\right) \, \mathbf{a}_{2}- \left(y_{4} + z_{4}\right) \, \mathbf{a}_{3}$ | = | $- b y_{4} \,\mathbf{\hat{y}}+c z_{4} \,\mathbf{\hat{z}}$ | (16m) | P II |
| $\mathbf{B_{9}}$ | = | $\left(y_{4} - z_{4}\right) \, \mathbf{a}_{1}- \left(y_{4} + z_{4}\right) \, \mathbf{a}_{2}+\left(y_{4} + z_{4}\right) \, \mathbf{a}_{3}$ | = | $b y_{4} \,\mathbf{\hat{y}}- c z_{4} \,\mathbf{\hat{z}}$ | (16m) | P II |
| $\mathbf{B_{10}}$ | = | $- \left(y_{4} + z_{4}\right) \, \mathbf{a}_{1}+\left(y_{4} - z_{4}\right) \, \mathbf{a}_{2}- \left(y_{4} - z_{4}\right) \, \mathbf{a}_{3}$ | = | $- b y_{4} \,\mathbf{\hat{y}}- c z_{4} \,\mathbf{\hat{z}}$ | (16m) | P II |
References
- H. G. von Schnering, T. Meyer, W. Hönle, W. Bauhofer, G. Kliche, T. Meyer, W. Schmettow, U. Hinze, W. Bauhofer, and G. Kliche, Zur Chemie und Strukturchemie von Phosphiden und Polyphosphiden. 46. Tetrarubidiumhexaphosphid und Tetracäsiumhexaphosphid: Darstellung, Struktur und Eigenschaften von Rb$_4$P$_6$ und Cs$_4$P$_6$, Z. Anorganische und Allgemeine Chemie 553, 261–279 (1987), doi:10.1002/zaac.19875531031.
Found in
- P. Villars and L. Calvert, Pearson's Handbook of Crystallographic Data for Intermetallic Phases, vol. 4 (ASM International, Materials Park, OH, 1991), 2nd edn.
First cited in
- H. Eckert, S. Divilov, M. J. Mehl, D. Hicks, A. C. Zettel, M. Esters, X. Campilongo, and S. Curtarolo, The AFLOW Library of Crystallographic Prototypes: Part 4, Comp. Mat. Sci. 240, 112988 (2024). (doi=10.1016/j.commatsci.2021.110450)
Geometry files
Prototype Generator
aflow --proto=A3B2_oF40_69_hm_fg --params=$a,b/a,c/a,x_{2},y_{3},y_{4},z_{4}$