Cf Structure: A_aP4_2_aci

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Prototype : Cf
AFLOW prototype label : A_aP4_2_aci
Strukturbericht designation : None
Pearson symbol : aP4
Space group number : 2
Space group symbol : $\mbox{P}\bar{1}$
AFLOW prototype command : aflow --proto=A_aP4_2_aci
--params=
$a$,$b/a$,$c/a$,$\alpha$,$\beta$,$\gamma$,$x_{3}$,$y_{3}$,$z_{3}$


  • This is a high-pressure phase, observed between 30 and 40 GPa.

Triclinic primitive vectors:

\[ \begin{array}{ccc} \mathbf{a}_1 & = & a \mathbf{\hat{x}} \\ \mathbf{a}_2 & = & b \cos\gamma \, \mathbf{\hat{x}} + b \sin\gamma \,\mathbf{\hat{y}} \\ \mathbf{a}_3 & = & c_x \mathbf{\hat{x}} + c_y \, \mathbf{\hat{y}} + c_z \, \mathbf{\hat{z}} \end{array} \]

Basis vectors:

\[ \begin{array}{ccccccc} & & \mbox{Lattice Coordinates} & & \mbox{Cartesian Coordinates} &\mbox{Wyckoff Position} & \mbox{Atom Type} \\ \mathbf{B}_{1} & = & 0 \, \mathbf{a}_{1} + 0 \, \mathbf{a}_{2} + 0 \, \mathbf{a}_{3} & = & 0 \mathbf{\hat{x}} + 0 \mathbf{\hat{y}} + 0 \mathbf{\hat{z}} & \left(1a\right) & \mbox{Cf I} \\ \mathbf{B}_{2} & = & \frac12 \mathbf{a}_{2}& =& \frac12 \, b \, \cos\gamma \, \mathbf{\hat{x}} + \frac12 \, b \, \sin\gamma \,\mathbf{\hat{y}}& \left(1c\right) & \mbox{Cf II} \\ \mathbf{B}_{3} & =& x_{3} \, \mathbf{a}_{1} + y_{3} \, \mathbf{a}_{2} + z_{3} \, \mathbf{a}_{3}& =& \left(x_{3} \, a + y_{3} \, b \, \cos\gamma \, + z_{3} \, c_x\right)\, \mathbf{\hat{x}}+ \left(y_{3} \, b \, \sin\gamma + z_{3} \, c_y\right) \, \mathbf{\hat{y}}+ z_{3} \, c_z \, \mathbf{\hat{z}}& \left(2i\right) & \mbox{Cf III} \\ \mathbf{B}_{4} & =& - x_{3} \, \mathbf{a}_{1} - y_{3} \, \mathbf{a}_{2} - z_{3} \, \mathbf{a}_{3}& =& - \left(x_{3} \, a + y_{3} \, b \, \cos\gamma \, + z_{3} \, c_x\right)\, \mathbf{\hat{x}}- \left(y_{3} \, b \, \sin\gamma + z_{3} \, c_y\right) \, \mathbf{\hat{y}}- z_{3} \, c_z \, \mathbf{\hat{z}}& \left(2i\right) & \mbox{Cf III} \\ \end{array} \]

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 (ASM International, Materials Park, OH, 1991), 2nd edn., pp. 2332.

Geometry files


Prototype Generator

aflow --proto=A_aP4_2_aci --params=

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