SrAl2Se4 Structure: A2B4C_oC28_66_l_kl_a

Picture of Structure; Click for Big Picture
Prototype : SrAl2Se4
AFLOW prototype label : A2B4C_oC28_66_l_kl_a
Strukturbericht designation : None
Pearson symbol : oC28
Space group number : 66
Space group symbol : $Cccm$
AFLOW prototype command : aflow --proto=A2B4C_oC28_66_l_kl_a
--params=
$a$,$b/a$,$c/a$,$z_{2}$,$x_{3}$,$y_{3}$,$x_{4}$,$y_{4}$


Base-centered Orthorhombic primitive vectors:

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

Basis vectors:

\[ \begin{array}{ccccccc} & & \mbox{Lattice Coordinates} & & \mbox{Cartesian Coordinates} &\mbox{Wyckoff Position} & \mbox{Atom Type} \\ \mathbf{B}_{1} & = & \frac{1}{4} \, \mathbf{a}_{3} & = & \frac{1}{4}c \, \mathbf{\hat{z}} & \left(4a\right) & \mbox{Sr} \\ \mathbf{B}_{2} & = & \frac{3}{4} \, \mathbf{a}_{3} & = & \frac{3}{4}c \, \mathbf{\hat{z}} & \left(4a\right) & \mbox{Sr} \\ \mathbf{B}_{3} & = & \frac{1}{2} \, \mathbf{a}_{2} + z_{2} \, \mathbf{a}_{3} & = & \frac{1}{4}a \, \mathbf{\hat{x}} + \frac{1}{4}b \, \mathbf{\hat{y}} + z_{2}c \, \mathbf{\hat{z}} & \left(8k\right) & \mbox{Se I} \\ \mathbf{B}_{4} & = & \frac{1}{2} \, \mathbf{a}_{1} + \left(\frac{1}{2} - z_{2}\right) \, \mathbf{a}_{3} & = & \frac{1}{4}a \, \mathbf{\hat{x}}- \frac{1}{4}b \, \mathbf{\hat{y}} + \left(\frac{1}{2} - z_{2}\right)c \, \mathbf{\hat{z}} & \left(8k\right) & \mbox{Se I} \\ \mathbf{B}_{5} & = & \frac{1}{2} \, \mathbf{a}_{2}-z_{2} \, \mathbf{a}_{3} & = & \frac{1}{4}a \, \mathbf{\hat{x}} + \frac{1}{4}b \, \mathbf{\hat{y}}-z_{2}c \, \mathbf{\hat{z}} & \left(8k\right) & \mbox{Se I} \\ \mathbf{B}_{6} & = & \frac{1}{2} \, \mathbf{a}_{1} + \left(\frac{1}{2} +z_{2}\right) \, \mathbf{a}_{3} & = & \frac{1}{4}a \, \mathbf{\hat{x}} + \frac{3}{4}b \, \mathbf{\hat{y}} + \left(\frac{1}{2} +z_{2}\right)c \, \mathbf{\hat{z}} & \left(8k\right) & \mbox{Se I} \\ \mathbf{B}_{7} & = & \left(x_{3}-y_{3}\right) \, \mathbf{a}_{1} + \left(x_{3}+y_{3}\right) \, \mathbf{a}_{2} & = & x_{3}a \, \mathbf{\hat{x}} + y_{3}b \, \mathbf{\hat{y}} & \left(8l\right) & \mbox{Al} \\ \mathbf{B}_{8} & = & \left(-x_{3}+y_{3}\right) \, \mathbf{a}_{1} + \left(-x_{3}-y_{3}\right) \, \mathbf{a}_{2} & = & -x_{3}a \, \mathbf{\hat{x}}-y_{3}b \, \mathbf{\hat{y}} & \left(8l\right) & \mbox{Al} \\ \mathbf{B}_{9} & = & \left(-x_{3}-y_{3}\right) \, \mathbf{a}_{1} + \left(-x_{3}+y_{3}\right) \, \mathbf{a}_{2} + \frac{1}{2} \, \mathbf{a}_{3} & = & -x_{3}a \, \mathbf{\hat{x}} + y_{3}b \, \mathbf{\hat{y}} + \frac{1}{2}c \, \mathbf{\hat{z}} & \left(8l\right) & \mbox{Al} \\ \mathbf{B}_{10} & = & \left(x_{3}+y_{3}\right) \, \mathbf{a}_{1} + \left(x_{3}-y_{3}\right) \, \mathbf{a}_{2} + \frac{1}{2} \, \mathbf{a}_{3} & = & x_{3}a \, \mathbf{\hat{x}}-y_{3}b \, \mathbf{\hat{y}} + \frac{1}{2}c \, \mathbf{\hat{z}} & \left(8l\right) & \mbox{Al} \\ \mathbf{B}_{11} & = & \left(x_{4}-y_{4}\right) \, \mathbf{a}_{1} + \left(x_{4}+y_{4}\right) \, \mathbf{a}_{2} & = & x_{4}a \, \mathbf{\hat{x}} + y_{4}b \, \mathbf{\hat{y}} & \left(8l\right) & \mbox{Se II} \\ \mathbf{B}_{12} & = & \left(-x_{4}+y_{4}\right) \, \mathbf{a}_{1} + \left(-x_{4}-y_{4}\right) \, \mathbf{a}_{2} & = & -x_{4}a \, \mathbf{\hat{x}}-y_{4}b \, \mathbf{\hat{y}} & \left(8l\right) & \mbox{Se II} \\ \mathbf{B}_{13} & = & \left(-x_{4}-y_{4}\right) \, \mathbf{a}_{1} + \left(-x_{4}+y_{4}\right) \, \mathbf{a}_{2} + \frac{1}{2} \, \mathbf{a}_{3} & = & -x_{4}a \, \mathbf{\hat{x}} + y_{4}b \, \mathbf{\hat{y}} + \frac{1}{2}c \, \mathbf{\hat{z}} & \left(8l\right) & \mbox{Se II} \\ \mathbf{B}_{14} & = & \left(x_{4}+y_{4}\right) \, \mathbf{a}_{1} + \left(x_{4}-y_{4}\right) \, \mathbf{a}_{2} + \frac{1}{2} \, \mathbf{a}_{3} & = & x_{4}a \, \mathbf{\hat{x}}-y_{4}b \, \mathbf{\hat{y}} + \frac{1}{2}c \, \mathbf{\hat{z}} & \left(8l\right) & \mbox{Se II} \\ \end{array} \]

References

  • W. Klee and H. Schäfer, CaAl2Se4 und SrAl2Se4–Strukturvarianten des TlSe–Typs / CaAl2Se4 and SrAl2Se4–Variants of the TlSe–Structure, Z. Naturforsch. B 33, 829–833 (1978), doi:10.1515/znb-1978-0803.

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=A2B4C_oC28_66_l_kl_a --params=

Species:

Running:

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