Rosiaite (PbSb2O6) Structure : A6BC2_hP9_162_k_a_d

Picture of Structure; Click for Big Picture
Prototype : O6PbSb2
AFLOW prototype label : A6BC2_hP9_162_k_a_d
Strukturbericht designation : None
Pearson symbol : hP9
Space group number : 162
Space group symbol : $P\bar{3}1m$
AFLOW prototype command : aflow --proto=A6BC2_hP9_162_k_a_d
--params=
$a$,$c/a$,$x_{3}$,$z_{3}$


Other compounds with this structure

  • MnSeTeO6, MnSnTeO6, and PbTeGeO6


Trigonal Hexagonal primitive vectors:

\[ \begin{array}{ccc} \mathbf{a}_1 & = & \frac12 \, a \, \mathbf{\hat{x}} - \frac{\sqrt3}2 \, a \, \mathbf{\hat{y}} \\ \mathbf{a}_2 & = & \frac12 \, a \, \mathbf{\hat{x}} + \frac{\sqrt3}2 \, a \, \mathbf{\hat{y}} \\ \mathbf{a}_3 & = & c \, \mathbf{\hat{z}} \\ \end{array} \]

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{Pb} \\ \mathbf{B}_{2} & = & \frac{1}{3} \, \mathbf{a}_{1} + \frac{2}{3} \, \mathbf{a}_{2} + \frac{1}{2} \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{x}} + \frac{1}{2\sqrt{3}}a \, \mathbf{\hat{y}} + \frac{1}{2}c \, \mathbf{\hat{z}} & \left(2d\right) & \mbox{Sb} \\ \mathbf{B}_{3} & = & \frac{2}{3} \, \mathbf{a}_{1} + \frac{1}{3} \, \mathbf{a}_{2} + \frac{1}{2} \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{x}}- \frac{1}{2\sqrt{3}}a \, \mathbf{\hat{y}} + \frac{1}{2}c \, \mathbf{\hat{z}} & \left(2d\right) & \mbox{Sb} \\ \mathbf{B}_{4} & = & x_{3} \, \mathbf{a}_{1} + z_{3} \, \mathbf{a}_{3} & = & \frac{1}{2}x_{3}a \, \mathbf{\hat{x}}-\frac{\sqrt{3}}{2}x_{3}a \, \mathbf{\hat{y}} + z_{3}c \, \mathbf{\hat{z}} & \left(6k\right) & \mbox{O} \\ \mathbf{B}_{5} & = & x_{3} \, \mathbf{a}_{2} + z_{3} \, \mathbf{a}_{3} & = & \frac{1}{2}x_{3}a \, \mathbf{\hat{x}} + \frac{\sqrt{3}}{2}x_{3}a \, \mathbf{\hat{y}} + z_{3}c \, \mathbf{\hat{z}} & \left(6k\right) & \mbox{O} \\ \mathbf{B}_{6} & = & -x_{3} \, \mathbf{a}_{1}-x_{3} \, \mathbf{a}_{2} + z_{3} \, \mathbf{a}_{3} & = & -x_{3}a \, \mathbf{\hat{x}} + z_{3}c \, \mathbf{\hat{z}} & \left(6k\right) & \mbox{O} \\ \mathbf{B}_{7} & = & -x_{3} \, \mathbf{a}_{2}-z_{3} \, \mathbf{a}_{3} & = & -\frac{1}{2}x_{3}a \, \mathbf{\hat{x}}-\frac{\sqrt{3}}{2}x_{3}a \, \mathbf{\hat{y}}-z_{3}c \, \mathbf{\hat{z}} & \left(6k\right) & \mbox{O} \\ \mathbf{B}_{8} & = & -x_{3} \, \mathbf{a}_{1}-z_{3} \, \mathbf{a}_{3} & = & -\frac{1}{2}x_{3}a \, \mathbf{\hat{x}} + \frac{\sqrt{3}}{2}x_{3}a \, \mathbf{\hat{y}}-z_{3}c \, \mathbf{\hat{z}} & \left(6k\right) & \mbox{O} \\ \mathbf{B}_{9} & = & x_{3} \, \mathbf{a}_{1} + x_{3} \, \mathbf{a}_{2}-z_{3} \, \mathbf{a}_{3} & = & x_{3}a \, \mathbf{\hat{x}}-z_{3}c \, \mathbf{\hat{z}} & \left(6k\right) & \mbox{O} \\ \end{array} \]

References

  • R. Basso, G. Lucchetti, L. Zefiro, and A. Palenzona, Rosiaite, PbSb2O6, a new mineral from the Cetine mine, Siena, Italy, Eur. J. Mineral. 8, 487–492 (1996), doi:10.1127/ejm/8/3/0487.

Geometry files


Prototype Generator

aflow --proto=A6BC2_hP9_162_k_a_d --params=

Species:

Running:

Output: