CuI Structure: AB_hP12_156_2ab3c_2ab3c

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Prototype : CuI
AFLOW prototype label : AB_hP12_156_2ab3c_2ab3c
Strukturbericht designation : None
Pearson symbol : hP12
Space group number : 156
Space group symbol : $P3m1$
AFLOW prototype command : aflow --proto=AB_hP12_156_2ab3c_2ab3c
--params=
$a$,$c/a$,$z_{1}$,$z_{2}$,$z_{3}$,$z_{4}$,$z_{5}$,$z_{6}$,$z_{7}$,$z_{8}$,$z_{9}$,$z_{10}$,$z_{11}$,$z_{12}$


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} & = & z_{1} \, \mathbf{a}_{3} & = & z_{1}c \, \mathbf{\hat{z}} & \left(1a\right) & \mbox{Cu I} \\ \mathbf{B}_{2} & = & z_{2} \, \mathbf{a}_{3} & = & z_{2}c \, \mathbf{\hat{z}} & \left(1a\right) & \mbox{Cu II} \\ \mathbf{B}_{3} & = & z_{3} \, \mathbf{a}_{3} & = & z_{3}c \, \mathbf{\hat{z}} & \left(1a\right) & \mbox{I I} \\ \mathbf{B}_{4} & = & z_{4} \, \mathbf{a}_{3} & = & z_{4}c \, \mathbf{\hat{z}} & \left(1a\right) & \mbox{I II} \\ \mathbf{B}_{5} & = & \frac{1}{3} \, \mathbf{a}_{1} + \frac{2}{3} \, \mathbf{a}_{2} + z_{5} \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{x}} + \frac{1}{2\sqrt{3}}a \, \mathbf{\hat{y}} + z_{5}c \, \mathbf{\hat{z}} & \left(1b\right) & \mbox{Cu III} \\ \mathbf{B}_{6} & = & \frac{1}{3} \, \mathbf{a}_{1} + \frac{2}{3} \, \mathbf{a}_{2} + z_{6} \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{x}} + \frac{1}{2\sqrt{3}}a \, \mathbf{\hat{y}} + z_{6}c \, \mathbf{\hat{z}} & \left(1b\right) & \mbox{I III} \\ \mathbf{B}_{7} & = & \frac{2}{3} \, \mathbf{a}_{1} + \frac{1}{3} \, \mathbf{a}_{2} + z_{7} \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{x}}- \frac{1}{2\sqrt{3}}a \, \mathbf{\hat{y}} + z_{7}c \, \mathbf{\hat{z}} & \left(1c\right) & \mbox{Cu IV} \\ \mathbf{B}_{8} & = & \frac{2}{3} \, \mathbf{a}_{1} + \frac{1}{3} \, \mathbf{a}_{2} + z_{8} \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{x}}- \frac{1}{2\sqrt{3}}a \, \mathbf{\hat{y}} + z_{8}c \, \mathbf{\hat{z}} & \left(1c\right) & \mbox{Cu V} \\ \mathbf{B}_{9} & = & \frac{2}{3} \, \mathbf{a}_{1} + \frac{1}{3} \, \mathbf{a}_{2} + z_{9} \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{x}}- \frac{1}{2\sqrt{3}}a \, \mathbf{\hat{y}} + z_{9}c \, \mathbf{\hat{z}} & \left(1c\right) & \mbox{Cu VI} \\ \mathbf{B}_{10} & = & \frac{2}{3} \, \mathbf{a}_{1} + \frac{1}{3} \, \mathbf{a}_{2} + z_{10} \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{x}}- \frac{1}{2\sqrt{3}}a \, \mathbf{\hat{y}} + z_{10}c \, \mathbf{\hat{z}} & \left(1c\right) & \mbox{I IV} \\ \mathbf{B}_{11} & = & \frac{2}{3} \, \mathbf{a}_{1} + \frac{1}{3} \, \mathbf{a}_{2} + z_{11} \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{x}}- \frac{1}{2\sqrt{3}}a \, \mathbf{\hat{y}} + z_{11}c \, \mathbf{\hat{z}} & \left(1c\right) & \mbox{I V} \\ \mathbf{B}_{12} & = & \frac{2}{3} \, \mathbf{a}_{1} + \frac{1}{3} \, \mathbf{a}_{2} + z_{12} \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{x}}- \frac{1}{2\sqrt{3}}a \, \mathbf{\hat{y}} + z_{12}c \, \mathbf{\hat{z}} & \left(1c\right) & \mbox{I VI} \\ \end{array} \]

References

  • R. N. Kurdyumova and R. V. Baranova, An electron diffraction study of thin films of cuprous iodide, Sov. Phys. Crystallogr. 6, 318–321 (1961).

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=AB_hP12_156_2ab3c_2ab3c --params=

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