Cf Structure: A_aP4_2_aci-001
| Prototype | Cf |
| AFLOW prototype label | A_aP4_2_aci-001 |
| ICSD | 52913 |
| Pearson symbol | aP4 |
| Space group number | 2 |
| Space group symbol | $P\overline{1}$ |
| AFLOW prototype command |
aflow --proto=A_aP4_2_aci-001
--params=$a, \allowbreak b/a, \allowbreak c/a, \allowbreak \alpha, \allowbreak \beta, \allowbreak \gamma, \allowbreak x_{3}, \allowbreak y_{3}, \allowbreak z_{3}$ |
- This is a high-pressure phase, observed between 30 and 40 GPa.
- The pressure at which the X-ray data was taken was not specified by (Roof, 1986).
\[ \begin{array}{ccc}
\mathbf{a_{1}}&=&a \,\mathbf{\hat{x}}\\\mathbf{a_{2}}&=&b \cos{\gamma} \,\mathbf{\hat{x}}+b \sin{\gamma} \,\mathbf{\hat{y}}\\\mathbf{a_{3}}&=&c_{x} \,\mathbf{\hat{x}}+c_{y} \,\mathbf{\hat{y}}+c_{z} \,\mathbf{\hat{z}}\\c_{x} & = & c \cos{\beta} \\ c_{y} & = & c (\cos{\alpha} - \cos{\beta}\cos{\gamma}) / {\sin{\gamma}} \\ c_{z} & = & \sqrt{c^2 - c_{x}^2- c_{y}^2}
\end{array}\]
Basis vectors
| Lattice coordinates | Cartesian coordinates | Wyckoff position | Atom type | |||
|---|---|---|---|---|---|---|
| $\mathbf{B_{1}}$ | = | $0$ | = | $0$ | (1a) | Cf I |
| $\mathbf{B_{2}}$ | = | $\frac{1}{2} \, \mathbf{a}_{2}$ | = | $\frac{1}{2}b \cos{\gamma} \,\mathbf{\hat{x}}+\frac{1}{2}b \sin{\gamma} \,\mathbf{\hat{y}}$ | (1c) | Cf II |
| $\mathbf{B_{3}}$ | = | $x_{3} \, \mathbf{a}_{1}+y_{3} \, \mathbf{a}_{2}+z_{3} \, \mathbf{a}_{3}$ | = | $\left(a x_{3} + b y_{3} \cos{\gamma} + c_{x} z_{3}\right) \,\mathbf{\hat{x}}+\left(b y_{3} \sin{\gamma} + c_{y} z_{3}\right) \,\mathbf{\hat{y}}+c_{z} z_{3} \,\mathbf{\hat{z}}$ | (2i) | Cf III |
| $\mathbf{B_{4}}$ | = | $- x_{3} \, \mathbf{a}_{1}- y_{3} \, \mathbf{a}_{2}- z_{3} \, \mathbf{a}_{3}$ | = | $- \left(a x_{3} + b y_{3} \cos{\gamma} + c_{x} z_{3}\right) \,\mathbf{\hat{x}}- \left(b y_{3} \sin{\gamma} + c_{y} z_{3}\right) \,\mathbf{\hat{y}}- c_{z} z_{3} \,\mathbf{\hat{z}}$ | (2i) | Cf III |
References
- R. B. Roof, Concerning the Structure of a High Pressure Phase in Californium Metal, J. Less-Common Met. 120, 345–349 (1986), doi:10.1016/0022-5088(86)90660-0.
Found in
- P. Villars and L. Calvert, Pearson's Handbook of Crystallographic Data for Intermetallic Phases, vol. 2 (ASM International, Materials Park, OH, 1991), 2nd edn.
Prototype Generator
aflow --proto=A_aP4_2_aci --params=$a,b/a,c/a,\alpha,\beta,\gamma,x_{3},y_{3},z_{3}$