Ta$_{3}$B$_{4}$ ($D7_{b}$) Structure: A4B3_oI14_71_ef_af-001
| Prototype | B$_{4}$Ta$_{3}$ |
| AFLOW prototype label | A4B3_oI14_71_ef_af-001 |
| Strukturbericht designation | $D7_{b}$ |
| ICSD | 44589 |
| Pearson symbol | oI14 |
| Space group number | 71 |
| Space group symbol | $Immm$ |
| AFLOW prototype command |
aflow --proto=A4B3_oI14_71_ef_af-001
--params=$a, \allowbreak b/a, \allowbreak c/a, \allowbreak x_{2}, \allowbreak x_{3}, \allowbreak x_{4}$ |
Other compounds with this structure
B$_{4}$Cr$_{3}$, B$_{4}$Mn$_{3}$, B$_{4}$Mo$_{2}$Ni, B$_{4}$Nb$_{3}$, B$_{4}$Ta$_{3}$, B$_{4}$V$_{3}$, B$_{4}$CoMo$_{2}$, B$_{4}$FeMo$_{2}$
\[ \begin{array}{ccc}
\mathbf{a_{1}}&=&- \frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{2}b \,\mathbf{\hat{y}}+\frac{1}{2}c \,\mathbf{\hat{z}}\\\mathbf{a_{2}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}- \frac{1}{2}b \,\mathbf{\hat{y}}+\frac{1}{2}c \,\mathbf{\hat{z}}\\\mathbf{a_{3}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{2}b \,\mathbf{\hat{y}}- \frac{1}{2}c \,\mathbf{\hat{z}}
\end{array}\]
Basis vectors
| Lattice coordinates | Cartesian coordinates | Wyckoff position | Atom type | |||
|---|---|---|---|---|---|---|
| $\mathbf{B_{1}}$ | = | $0$ | = | $0$ | (2a) | Ta I |
| $\mathbf{B_{2}}$ | = | $x_{2} \, \mathbf{a}_{2}+x_{2} \, \mathbf{a}_{3}$ | = | $a x_{2} \,\mathbf{\hat{x}}$ | (4e) | B I |
| $\mathbf{B_{3}}$ | = | $- x_{2} \, \mathbf{a}_{2}- x_{2} \, \mathbf{a}_{3}$ | = | $- a x_{2} \,\mathbf{\hat{x}}$ | (4e) | B I |
| $\mathbf{B_{4}}$ | = | $\frac{1}{2} \, \mathbf{a}_{1}+x_{3} \, \mathbf{a}_{2}+\left(x_{3} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $a x_{3} \,\mathbf{\hat{x}}+\frac{1}{2}b \,\mathbf{\hat{y}}$ | (4f) | B II |
| $\mathbf{B_{5}}$ | = | $\frac{1}{2} \, \mathbf{a}_{1}- x_{3} \, \mathbf{a}_{2}- \left(x_{3} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- a x_{3} \,\mathbf{\hat{x}}+\frac{1}{2}b \,\mathbf{\hat{y}}$ | (4f) | B II |
| $\mathbf{B_{6}}$ | = | $\frac{1}{2} \, \mathbf{a}_{1}+x_{4} \, \mathbf{a}_{2}+\left(x_{4} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $a x_{4} \,\mathbf{\hat{x}}+\frac{1}{2}b \,\mathbf{\hat{y}}$ | (4f) | Ta II |
| $\mathbf{B_{7}}$ | = | $\frac{1}{2} \, \mathbf{a}_{1}- x_{4} \, \mathbf{a}_{2}- \left(x_{4} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- a x_{4} \,\mathbf{\hat{x}}+\frac{1}{2}b \,\mathbf{\hat{y}}$ | (4f) | Ta II |
References
- R. Kiessling, The Borides of Tantalum, Acta Chem. Scand. 3, 603–615 (1949), doi:10.1021/cm00015a035.
Found in
- R. Minyaev and R. Hoffmann, Transition-metal borides with the tantalum boride (Ta$_{3}$B$_{4}$) crystal structure: their electronic and bonding properties, Chem. Mater. 3, 547–557 (1991), doi:10.1021/cm00015a035.
Prototype Generator
aflow --proto=A4B3_oI14_71_ef_af --params=$a,b/a,c/a,x_{2},x_{3},x_{4}$