LaPtSi Structure: ABC_tI12_109_a_a_a

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Prototype : LaPtSi
AFLOW prototype label : ABC_tI12_109_a_a_a
Strukturbericht designation : None
Pearson symbol : tI12
Space group number : 109
Space group symbol : $I4_{1}md$
AFLOW prototype command : aflow --proto=ABC_tI12_109_a_a_a
--params=
$a$,$c/a$,$z_{1}$,$z_{2}$,$z_{3}$


Other compounds with this structure

  • PrAlGe, PrAlSi, LaPtGe, LaRhAs, CeNiSi, LaIrP, LaNiSi, GdGaSi, and NdNiSi

Body-centered Tetragonal primitive vectors:

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

Basis vectors:

\[ \begin{array}{ccccccc} & & \mbox{Lattice Coordinates} & & \mbox{Cartesian Coordinates} &\mbox{Wyckoff Position} & \mbox{Atom Type} \\ \mathbf{B}_{1} & = & z_{1} \, \mathbf{a}_{1} + z_{1} \, \mathbf{a}_{2} & = & z_{1}c \, \mathbf{\hat{z}} & \left(4a\right) & \mbox{La} \\ \mathbf{B}_{2} & = & \left(\frac{3}{4} +z_{1}\right) \, \mathbf{a}_{1} + \left(\frac{1}{4} +z_{1}\right) \, \mathbf{a}_{2} + \frac{1}{2} \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{y}} + \left(\frac{1}{4} +z_{1}\right)c \, \mathbf{\hat{z}} & \left(4a\right) & \mbox{La} \\ \mathbf{B}_{3} & = & z_{2} \, \mathbf{a}_{1} + z_{2} \, \mathbf{a}_{2} & = & z_{2}c \, \mathbf{\hat{z}} & \left(4a\right) & \mbox{Pt} \\ \mathbf{B}_{4} & = & \left(\frac{3}{4} +z_{2}\right) \, \mathbf{a}_{1} + \left(\frac{1}{4} +z_{2}\right) \, \mathbf{a}_{2} + \frac{1}{2} \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{y}} + \left(\frac{1}{4} +z_{2}\right)c \, \mathbf{\hat{z}} & \left(4a\right) & \mbox{Pt} \\ \mathbf{B}_{5} & = & z_{3} \, \mathbf{a}_{1} + z_{3} \, \mathbf{a}_{2} & = & z_{3}c \, \mathbf{\hat{z}} & \left(4a\right) & \mbox{Si} \\ \mathbf{B}_{6} & = & \left(\frac{3}{4} +z_{3}\right) \, \mathbf{a}_{1} + \left(\frac{1}{4} +z_{3}\right) \, \mathbf{a}_{2} + \frac{1}{2} \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{y}} + \left(\frac{1}{4} +z_{3}\right)c \, \mathbf{\hat{z}} & \left(4a\right) & \mbox{Si} \\ \end{array} \]

References

  • K. Klepp and E. Parthé, RPtSi phases (R = La, Ce, Pr, Nd, Sm and Gd) with an ordered ThSi2 derivative structure, Acta Crystallogr. Sect. B Struct. Sci. 38, 1105–1108 (1982), doi:10.1107/S056774088200507X.

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=ABC_tI12_109_a_a_a --params=

Species:

Running:

Output: