Muthmannite (AuAgTe2) Structure: ABC2_mP8_10_ac_eh_mn

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Prototype : AuAgTe2
AFLOW prototype label : ABC2_mP8_10_ac_eh_mn
Strukturbericht designation : None
Pearson symbol : mP8
Space group number : 10
Space group symbol : $P2/m$
AFLOW prototype command : aflow --proto=ABC2_mP8_10_ac_eh_mn
--params=
$a$,$b/a$,$c/a$,$\beta$,$x_{5}$,$z_{5}$,$x_{6}$,$z_{6}$


Simple Monoclinic primitive vectors:

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

Basis vectors:

\[ \begin{array}{ccccccc} & & \mbox{Lattice Coordinates} & & \mbox{Cartesian Coordinates} &\mbox{Wyckoff Position} & \mbox{Atom Type} \\ \mathbf{B}_{1} & = & 0 \, \mathbf{a}_{1} + 0 \, \mathbf{a}_{2} + 0 \, \mathbf{a}_{3} & = & 0 \, \mathbf{\hat{x}} + 0 \, \mathbf{\hat{y}} + 0 \, \mathbf{\hat{z}} & \left(1a\right) & \mbox{Ag I} \\ \mathbf{B}_{2} & = & \frac{1}{2} \, \mathbf{a}_{3} & = & \frac{1}{2}c\cos\beta \, \mathbf{\hat{x}} + \frac{1}{2}c\sin\beta \, \mathbf{\hat{z}} & \left(1c\right) & \mbox{Ag II} \\ \mathbf{B}_{3} & = & \frac{1}{2} \, \mathbf{a}_{1} + \frac{1}{2} \, \mathbf{a}_{2} & = & \frac{1}{2}a \, \mathbf{\hat{x}} + \frac{1}{2}b \, \mathbf{\hat{y}} & \left(1e\right) & \mbox{Au I} \\ \mathbf{B}_{4} & = & \frac{1}{2} \, \mathbf{a}_{1} + \frac{1}{2} \, \mathbf{a}_{2} + \frac{1}{2} \, \mathbf{a}_{3} & = & \frac{1}{2}\left(a+c\cos\beta\right) \, \mathbf{\hat{x}} + \frac{1}{2}b \, \mathbf{\hat{y}} + \frac{1}{2}c\sin\beta \, \mathbf{\hat{z}} & \left(1h\right) & \mbox{Au II} \\ \mathbf{B}_{5} & = & x_{5} \, \mathbf{a}_{1} + z_{5} \, \mathbf{a}_{3} & = & \left(x_{5}a+z_{5}c\cos\beta\right) \, \mathbf{\hat{x}} + z_{5}c\sin\beta \, \mathbf{\hat{z}} & \left(2m\right) & \mbox{Te I} \\ \mathbf{B}_{6} & = & -x_{5} \, \mathbf{a}_{1}-z_{5} \, \mathbf{a}_{3} & = & \left(-x_{5}a-z_{5}c\cos\beta\right) \, \mathbf{\hat{x}}-z_{5}c\sin\beta \, \mathbf{\hat{z}} & \left(2m\right) & \mbox{Te I} \\ \mathbf{B}_{7} & = & x_{6} \, \mathbf{a}_{1} + \frac{1}{2} \, \mathbf{a}_{2} + z_{6} \, \mathbf{a}_{3} & = & \left(x_{6}a+z_{6}c\cos\beta\right) \, \mathbf{\hat{x}} + \frac{1}{2}b \, \mathbf{\hat{y}} + z_{6}c\sin\beta \, \mathbf{\hat{z}} & \left(2n\right) & \mbox{Te II} \\ \mathbf{B}_{8} & = & -x_{6} \, \mathbf{a}_{1} + \frac{1}{2} \, \mathbf{a}_{2}-z_{6} \, \mathbf{a}_{3} & = & \left(-x_{6}a-z_{6}c\cos\beta\right) \, \mathbf{\hat{x}} + \frac{1}{2}b \, \mathbf{\hat{y}}-z_{6}c\sin\beta \, \mathbf{\hat{z}} & \left(2n\right) & \mbox{Te II} \\ \end{array} \]

References

  • L. Bindi, Commensurate–incommensurate phase transition in muthmannite, AuAgTe2: first evidence of a modulated structure at low temperature, Philos. Mag. Lett. 88, 533–541 (2008), doi:10.1080/09500830802311072.

Found in

  • P. Villars and K. Cenzual, Pearson's Crystal Data – Crystal Structure Database for Inorganic Compounds, ASM International (2013).

Geometry files


Prototype Generator

aflow --proto=ABC2_mP8_10_ac_eh_mn --params=

Species:

Running:

Output: