Vulcanite (CuTe) Structure: AB_oP4_59_a_b

Picture of Structure; Click for Big Picture
Prototype : CuTe
AFLOW prototype label : AB_oP4_59_a_b
Strukturbericht designation : None
Pearson symbol : oP4
Space group number : 59
Space group symbol : $\mbox{Pmmn}$
AFLOW prototype command : aflow --proto=AB_oP4_59_a_b
--params=
$a$,$b/a$,$c/a$,$z_{1}$,$z_{2}$


Simple Orthorhombic primitive vectors:

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

Basis vectors:

\[ \begin{array}{ccccccc} & & \mbox{Lattice Coordinates} & & \mbox{Cartesian Coordinates} &\mbox{Wyckoff Position} & \mbox{Atom Type} \\ \mathbf{B}_{1} & =&\frac14 \, \mathbf{a}_{1}+ \frac14 \, \mathbf{a}_{2}+ z_{1} \, \mathbf{a}_{3}& =&\frac14 \, a \, \mathbf{\hat{x}}+ \frac14 \, b \, \mathbf{\hat{y}}+ z_{1} \, c \, \mathbf{\hat{z}}& \left(2a\right) & \mbox{Cu} \\ \mathbf{B}_{2} & =&\frac34 \, \mathbf{a}_{1}+ \frac34 \, \mathbf{a}_{2}- z_{1} \, \mathbf{a}_{3}& =&\frac34 \, a \, \mathbf{\hat{x}}+ \frac34 \, b \, \mathbf{\hat{y}}- z_{1} \, c \, \mathbf{\hat{z}}& \left(2a\right) & \mbox{Cu} \\ \mathbf{B}_{3} & =&\frac14 \, \mathbf{a}_{1}+ \frac34 \, \mathbf{a}_{2}+ z_{2} \, \mathbf{a}_{3}& =&\frac14 \, a \, \mathbf{\hat{x}}+ \frac34 \, b \, \mathbf{\hat{y}}+ z_{2} \, c \, \mathbf{\hat{z}}& \left(2b\right) & \mbox{Te} \\ \mathbf{B}_{4} & =&\frac34 \, \mathbf{a}_{1}+ \frac14 \, \mathbf{a}_{2}- z_{2} \, \mathbf{a}_{3}& =&\frac34 \, a \, \mathbf{\hat{x}}+ \frac14 \, b \, \mathbf{\hat{y}}- z_{2} \, c \, \mathbf{\hat{z}}& \left(2b\right) & \mbox{Te} \\ \end{array} \]

References

  • E. N. Cameron and I. M. Threadgold, Vulcanite, a new copper telluride from Colorado, with notes on certain associated minerals, Am. Mineral. 46, 258–268 (1961).

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=AB_oP4_59_a_b --params=

Species:

Running:

Output: