PH3 Structure: A3B_cP16_208_j_b

Picture of Structure; Click for Big Picture
Prototype : PH3
AFLOW prototype label : A3B_cP16_208_j_b
Strukturbericht designation : None
Pearson symbol : cP16
Space group number : 208
Space group symbol : $P4_{2}32$
AFLOW prototype command : aflow --proto=A3B_cP16_208_j_b
--params=
$a$,$x_{2}$


H$_{3}$As


Simple Cubic primitive vectors:

\[ \begin{array}{ccc} \mathbf{a}_1 & = & a \, \mathbf{\hat{x}} \\ \mathbf{a}_2 & = & a \, \mathbf{\hat{y}} \\ \mathbf{a}_3 & = & a \, \mathbf{\hat{z}} \\ \end{array} \]

Basis vectors:

\[ \begin{array}{ccccccc} & & \mbox{Lattice Coordinates} & & \mbox{Cartesian Coordinates} &\mbox{Wyckoff Position} & \mbox{Atom Type} \\ \mathbf{B}_{1} & = & \frac{1}{4} \, \mathbf{a}_{1} + \frac{1}{4} \, \mathbf{a}_{2} + \frac{1}{4} \, \mathbf{a}_{3} & = & \frac{1}{4}a \, \mathbf{\hat{x}} + \frac{1}{4}a \, \mathbf{\hat{y}} + \frac{1}{4}a \, \mathbf{\hat{z}} & \left(4b\right) & \mbox{P} \\ \mathbf{B}_{2} & = & \frac{3}{4} \, \mathbf{a}_{1} + \frac{3}{4} \, \mathbf{a}_{2} + \frac{1}{4} \, \mathbf{a}_{3} & = & \frac{3}{4}a \, \mathbf{\hat{x}} + \frac{3}{4}a \, \mathbf{\hat{y}} + \frac{1}{4}a \, \mathbf{\hat{z}} & \left(4b\right) & \mbox{P} \\ \mathbf{B}_{3} & = & \frac{3}{4} \, \mathbf{a}_{1} + \frac{1}{4} \, \mathbf{a}_{2} + \frac{3}{4} \, \mathbf{a}_{3} & = & \frac{3}{4}a \, \mathbf{\hat{x}} + \frac{1}{4}a \, \mathbf{\hat{y}} + \frac{3}{4}a \, \mathbf{\hat{z}} & \left(4b\right) & \mbox{P} \\ \mathbf{B}_{4} & = & \frac{1}{4} \, \mathbf{a}_{1} + \frac{3}{4} \, \mathbf{a}_{2} + \frac{3}{4} \, \mathbf{a}_{3} & = & \frac{1}{4}a \, \mathbf{\hat{x}} + \frac{3}{4}a \, \mathbf{\hat{y}} + \frac{3}{4}a \, \mathbf{\hat{z}} & \left(4b\right) & \mbox{P} \\ \mathbf{B}_{5} & = & x_{2} \, \mathbf{a}_{1} + \frac{1}{2} \, \mathbf{a}_{2} & = & x_{2}a \, \mathbf{\hat{x}} + \frac{1}{2}a \, \mathbf{\hat{y}} & \left(12j\right) & \mbox{H} \\ \mathbf{B}_{6} & = & -x_{2} \, \mathbf{a}_{1} + \frac{1}{2} \, \mathbf{a}_{2} & = & -x_{2}a \, \mathbf{\hat{x}} + \frac{1}{2}a \, \mathbf{\hat{y}} & \left(12j\right) & \mbox{H} \\ \mathbf{B}_{7} & = & x_{2} \, \mathbf{a}_{2} + \frac{1}{2} \, \mathbf{a}_{3} & = & x_{2}a \, \mathbf{\hat{y}} + \frac{1}{2}a \, \mathbf{\hat{z}} & \left(12j\right) & \mbox{H} \\ \mathbf{B}_{8} & = & -x_{2} \, \mathbf{a}_{2} + \frac{1}{2} \, \mathbf{a}_{3} & = & -x_{2}a \, \mathbf{\hat{y}} + \frac{1}{2}a \, \mathbf{\hat{z}} & \left(12j\right) & \mbox{H} \\ \mathbf{B}_{9} & = & \frac{1}{2} \, \mathbf{a}_{1} + x_{2} \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{x}} + x_{2}a \, \mathbf{\hat{z}} & \left(12j\right) & \mbox{H} \\ \mathbf{B}_{10} & = & \frac{1}{2} \, \mathbf{a}_{1}-x_{2} \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{x}}-x_{2}a \, \mathbf{\hat{z}} & \left(12j\right) & \mbox{H} \\ \mathbf{B}_{11} & = & \left(\frac{1}{2} +x_{2}\right) \, \mathbf{a}_{2} + \frac{1}{2} \, \mathbf{a}_{3} & = & \left(\frac{1}{2} +x_{2}\right)a \, \mathbf{\hat{y}} + \frac{1}{2}a \, \mathbf{\hat{z}} & \left(12j\right) & \mbox{H} \\ \mathbf{B}_{12} & = & \left(\frac{1}{2} - x_{2}\right) \, \mathbf{a}_{2} + \frac{1}{2} \, \mathbf{a}_{3} & = & \left(\frac{1}{2} - x_{2}\right)a \, \mathbf{\hat{y}} + \frac{1}{2}a \, \mathbf{\hat{z}} & \left(12j\right) & \mbox{H} \\ \mathbf{B}_{13} & = & \left(\frac{1}{2} +x_{2}\right) \, \mathbf{a}_{1} + \frac{1}{2} \, \mathbf{a}_{2} & = & \left(\frac{1}{2} +x_{2}\right)a \, \mathbf{\hat{x}} + \frac{1}{2}a \, \mathbf{\hat{y}} & \left(12j\right) & \mbox{H} \\ \mathbf{B}_{14} & = & \left(\frac{1}{2} - x_{2}\right) \, \mathbf{a}_{1} + \frac{1}{2} \, \mathbf{a}_{2} & = & \left(\frac{1}{2} - x_{2}\right)a \, \mathbf{\hat{x}} + \frac{1}{2}a \, \mathbf{\hat{y}} & \left(12j\right) & \mbox{H} \\ \mathbf{B}_{15} & = & \frac{1}{2} \, \mathbf{a}_{1} + \left(\frac{1}{2} - x_{2}\right) \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{x}} + \left(\frac{1}{2} - x_{2}\right)a \, \mathbf{\hat{z}} & \left(12j\right) & \mbox{H} \\ \mathbf{B}_{16} & = & \frac{1}{2} \, \mathbf{a}_{1} + \left(\frac{1}{2} +x_{2}\right) \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{x}} + \left(\frac{1}{2} +x_{2}\right)a \, \mathbf{\hat{z}} & \left(12j\right) & \mbox{H} \\ \end{array} \]

References

  • G. Natta and E. Casazza, La struttura dell'idrogeno fosforato (PH3) e dell'idrogeno arsenicale (AsH3), Gazz. Chim. Ital. 60, 851–859 (1930).

Found in

  • R. T. Downs and M. Hall–Wallace, The American Mineralogist Crystal Structure Database, Am. Mineral. 88, 247–250 (2003).

Geometry files


Prototype Generator

aflow --proto=A3B_cP16_208_j_b --params=

Species:

Running:

Output: