Room Temperature NbTe$_{4}$ Structure: AB4_tP10_124_a_m-001
Other compounds with this structure
TaTe$_{4}$
- This is the room-temperature phase of NbTe4$_{4}$. Above 520$^\circ$C it transforms into a non-centrosymmetric structure.
\[ \begin{array}{ccc}
\mathbf{a_{1}}&=&a \,\mathbf{\hat{x}}\\\mathbf{a_{2}}&=&a \,\mathbf{\hat{y}}\\\mathbf{a_{3}}&=&c \,\mathbf{\hat{z}}
\end{array}\]
Basis vectors
| Lattice coordinates | Cartesian coordinates | Wyckoff position | Atom type | |||
|---|---|---|---|---|---|---|
| $\mathbf{B_{1}}$ | = | $\frac{1}{4} \, \mathbf{a}_{3}$ | = | $\frac{1}{4}c \,\mathbf{\hat{z}}$ | (2a) | Nb I |
| $\mathbf{B_{2}}$ | = | $\frac{3}{4} \, \mathbf{a}_{3}$ | = | $\frac{3}{4}c \,\mathbf{\hat{z}}$ | (2a) | Nb I |
| $\mathbf{B_{3}}$ | = | $x_{2} \, \mathbf{a}_{1}+y_{2} \, \mathbf{a}_{2}$ | = | $a x_{2} \,\mathbf{\hat{x}}+a y_{2} \,\mathbf{\hat{y}}$ | (8m) | Te I |
| $\mathbf{B_{4}}$ | = | $- x_{2} \, \mathbf{a}_{1}- y_{2} \, \mathbf{a}_{2}$ | = | $- a x_{2} \,\mathbf{\hat{x}}- a y_{2} \,\mathbf{\hat{y}}$ | (8m) | Te I |
| $\mathbf{B_{5}}$ | = | $- y_{2} \, \mathbf{a}_{1}+x_{2} \, \mathbf{a}_{2}$ | = | $- a y_{2} \,\mathbf{\hat{x}}+a x_{2} \,\mathbf{\hat{y}}$ | (8m) | Te I |
| $\mathbf{B_{6}}$ | = | $y_{2} \, \mathbf{a}_{1}- x_{2} \, \mathbf{a}_{2}$ | = | $a y_{2} \,\mathbf{\hat{x}}- a x_{2} \,\mathbf{\hat{y}}$ | (8m) | Te I |
| $\mathbf{B_{7}}$ | = | $- x_{2} \, \mathbf{a}_{1}+y_{2} \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ | = | $- a x_{2} \,\mathbf{\hat{x}}+a y_{2} \,\mathbf{\hat{y}}+\frac{1}{2}c \,\mathbf{\hat{z}}$ | (8m) | Te I |
| $\mathbf{B_{8}}$ | = | $x_{2} \, \mathbf{a}_{1}- y_{2} \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ | = | $a x_{2} \,\mathbf{\hat{x}}- a y_{2} \,\mathbf{\hat{y}}+\frac{1}{2}c \,\mathbf{\hat{z}}$ | (8m) | Te I |
| $\mathbf{B_{9}}$ | = | $y_{2} \, \mathbf{a}_{1}+x_{2} \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ | = | $a y_{2} \,\mathbf{\hat{x}}+a x_{2} \,\mathbf{\hat{y}}+\frac{1}{2}c \,\mathbf{\hat{z}}$ | (8m) | Te I |
| $\mathbf{B_{10}}$ | = | $- y_{2} \, \mathbf{a}_{1}- x_{2} \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ | = | $- a y_{2} \,\mathbf{\hat{x}}- a x_{2} \,\mathbf{\hat{y}}+\frac{1}{2}c \,\mathbf{\hat{z}}$ | (8m) | Te I |
References
- K. Selte and A. Kjekshus, On the Crystal Structure of NbTe$_{4}$, Acta Chem. Scand. 18, 690–696 (1964), doi:10.3891/acta.chem.scand.18-0690.
Found in
- P. Villars and K. Cenzual, Pearson's Crystal Data – Crystal Structure Database for Inorganic Compounds (2013). ASM International.
First cited in
- D. Hicks, M. J. Mehl, E. Gossett, C. Toher, O. Levy, R. M. Hanson, G. L. W. Hart, and S. Curtarolo, The AFLOW Library of Crystallographic Prototypes: Part 2, Comp. Mat. Sci. 161, S1-S1011 (2019). (doi=10.1016/j.commatsci.2018.10.043)
Geometry files
Prototype Generator
aflow --proto=AB4_tP10_124_a_m --params=$a,c/a,x_{2},y_{2}$