BaPtSb Structure: ABC_hP3_187_a_d_f

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Prototype : BaPtSb
AFLOW prototype label : ABC_hP3_187_a_d_f
Strukturbericht designation : None
Pearson symbol : hP3
Space group number : 187
Space group symbol : $\mbox{P}\bar{6}\mbox{m2}$
AFLOW prototype command : aflow --proto=ABC_hP3_187_a_d_f
--params=
$a$,$c/a$


Other compounds with this structure

  • AsKZn, PtSbSr, DyPPt, GdPPt, KSbZn, LuPPt, PPtSm, PPtTb, PPtTm, PPtY, PPtYb, LiBaSi, and KZnAs

Hexagonal primitive vectors:

\[ \begin{array}{ccc} \mathbf{a}_1 & = & \frac12 \, a \, \mathbf{\hat{x}} - \frac{\sqrt{3}}{2} \, a \, \mathbf{\hat{y}} \\ \mathbf{a}_2 & = & \frac12 \, a \, \mathbf{\hat{x}} + \frac{\sqrt{3}}{2} \, a \, \mathbf{\hat{y}} \\ \mathbf{a}_3 & = & c \, \mathbf{\hat{z}}\\ \end{array} \]

Basis vectors:

\[ \begin{array}{ccccccc} & & \mbox{Lattice Coordinates} & & \mbox{Cartesian Coordinates} &\mbox{Wyckoff Position} & \mbox{Atom Type} \\ \mathbf{B}_{1}& = &0 \, \mathbf{a}_{1} + 0 \, \mathbf{a}_{2} + 0 \, \mathbf{a}_{3} & = &0 \mathbf{\hat{x}} + 0 \mathbf{\hat{y}} + 0 \mathbf{\hat{z}} & \left(1a\right) & \mbox{Ba} \\ \mathbf{B}_{2}& = &\frac13 \, \mathbf{a}_{1}+ \frac23 \, \mathbf{a}_{2}+ \frac12 \, \mathbf{a}_{3}& = &\frac12 \, a \, \mathbf{\hat{x}}+ \frac1{2\sqrt3} \, a \, \mathbf{\hat{y}}+ \frac12 \, c \, \mathbf{\hat{z}}& \left(1d\right) & \mbox{Pt} \\ \mathbf{B}_{3}& = &\frac23 \, \mathbf{a}_{1}+ \frac13 \, \mathbf{a}_{2}+ \frac12 \, \mathbf{a}_{3}& = &\frac12 \, a \, \mathbf{\hat{x}}- \frac1{2\sqrt3} \, a \, \mathbf{\hat{y}}+ \frac12 \, c \, \mathbf{\hat{z}}& \left(1f\right) & \mbox{Sb} \\ \end{array} \]

References

  • G. Wenski and A. Mewis, Trigonal–planar koordiniertes Platin: Darstellung und Struktur von SrPtAs (Sb), BaPtP (As, Sb), SrPtxP2–x, SrPtxAs0.90 und BaPtxAs0.90, Z. Anorg. Allg. Chem. 535, 110–122 (1986), doi:10.1002/zaac.19865350413.

Found in

  • P. Villars, Material Phases Data System ((MPDS), CH–6354 Vitznau, Switzerland, 2014). Accessed through the Springer Materials site.

Geometry files


Prototype Generator

aflow --proto=ABC_hP3_187_a_d_f --params=

Species:

Running:

Output: