NiTi Structure: AB_mP4_11_e_e
| Prototype | : | NiTi |
| AFLOW prototype label | : | AB_mP4_11_e_e |
| Strukturbericht designation | : | None |
| Pearson symbol | : | mP4 |
| Space group number | : | 11 |
| Space group symbol | : | $\text{P2}_{1}\text{/m}$ |
| AFLOW prototype command | : | aflow --proto=AB_mP4_11_e_e --params=$a$,$b/a$,$c/a$,$\beta$,$x_{1}$,$z_{1}$,$x_{2}$,$z_{2}$ |
Simple Monoclinic primitive vectors:
\[ \begin{array}{ccc} \mathbf{a}_1 & = & a \, \mathbf{\hat{x}} \\ \mathbf{a}_2 & = & b \, \mathbf{\hat{y}} \\ \mathbf{a}_3 & = & c \cos\beta \, \mathbf{\hat{x}} + c \sin\beta \, \mathbf{\hat{z}} \end{array} \]
Basis vectors:
\[ \begin{array}{ccccccc} & & \text{Lattice Coordinates} & & \text{Cartesian Coordinates} &\text{Wyckoff Position} & \text{Atom Type} \\ \mathbf{B}_{1} & =& x_{1} \, \mathbf{a}_{1} + \frac14 \, \mathbf{a}_{2} + z_{1} \, \mathbf{a}_{3}& =& \left(x_{1} \, a + z_{1} \, c \, \cos\beta\right) \, \mathbf{\hat{x}}+ \frac14 \, b \, \mathbf{\hat{y}}+ z_{1} \, c \, \sin\beta \, \mathbf{\hat{z}}& \left(2e\right) & \text{Ni} \\ \mathbf{B}_{2} & =& - x_{1} \, \mathbf{a}_{1} + \frac34 \, \mathbf{a}_{2} - z_{1} \, \mathbf{a}_{3}& =& - \left(x_{1} \, a + z_{1} \, c \, \cos\beta\right) \, \mathbf{\hat{x}}+ \frac34 \, b \, \mathbf{\hat{y}}- z_{1} \, c \, \sin\beta \, \mathbf{\hat{z}}& \left(2e\right) & \text{Ni} \\ \mathbf{B}_{3} & =& x_{2} \, \mathbf{a}_{1} + \frac14 \, \mathbf{a}_{2} + z_{2} \, \mathbf{a}_{3}& =& \left(x_{2} \, a + z_{2} \, c \, \cos\beta\right) \, \mathbf{\hat{x}}+ \frac14 \, b \, \mathbf{\hat{y}}+ z_{2} \, c \, \sin\beta \, \mathbf{\hat{z}}& \left(2e\right) & \text{Ti} \\ \mathbf{B}_{4} & =& - x_{2} \, \mathbf{a}_{1} + \frac34 \, \mathbf{a}_{2} - z_{2} \, \mathbf{a}_{3}& =& - \left(x_{2} \, a + z_{2} \, c \, \cos\beta\right) \, \mathbf{\hat{x}}+ \frac34 \, b \, \mathbf{\hat{y}}- z_{2} \, c \, \sin\beta \, \mathbf{\hat{z}}& \left(2e\right) & \text{Ti} \\ \end{array} \]References
- H. Sitepu, W. W. Schmahl, and J. K. Stalick, Correction of intensities for preferred orientation in neutron–diffraction data of NiTi shape–memory alloy using the generalized spherical–harmonic description, Appl. Phys. A 74, S1719–S1721 (2002), doi:10.1007/s003390201840.
Found in
- R. T. Downs and M. Hall–Wallace, The American Mineralogist Crystal Structure Database, Am. Mineral. 88, 247–250 (2003).