Ni2In ($B8_{2}$) Structure: AB2_hP6_194_c_ad

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Prototype : Ni2In
AFLOW prototype label : AB2_hP6_194_c_ad
Strukturbericht designation : $B8_{2}$
Pearson symbol : hP6
Space group number : 194
Space group symbol : $\mbox{P6}_{3}\mbox{/mmc}$
AFLOW prototype command : aflow --proto=AB2_hP6_194_c_ad
--params=
$a$,$c/a$


Other compounds with this structure

  • AgAsBa, BeSiZr, CuKSe, LiBC, Fe2Sn, GaMnPt, more


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:

\[ \begin{array}{ccccccc} & & \mbox{Lattice Coordinates} & & \mbox{Cartesian Coordinates} &\mbox{Wyckoff Position} & \mbox{Atom Type} \\ \mathbf{B}_{1}& = &0 \, \mathbf{a}_{1} + 0 \, \mathbf{a}_{2} + 0 \, \mathbf{a}_{3} & = &0 \mathbf{\hat{x}} + 0 \mathbf{\hat{y}} + 0 \mathbf{\hat{z}} & \left(2a\right) & \mbox{Ni I} \\ \mathbf{B}_{2}& = &\frac12 \, \mathbf{a}_{3}& = &\frac12 \, c \, \mathbf{\hat{z}}& \left(2a\right) & \mbox{Ni I} \\ \mathbf{B}_{3}& = &\frac13 \, \mathbf{a}_{1}+ \frac23 \, \mathbf{a}_{2}+ \frac14 \, \mathbf{a}_{3}& = &\frac12 \, a \, \mathbf{\hat{x}}+ \frac{1}{2\sqrt{3}} \, a \, \mathbf{\hat{y}}+ \frac14 \, c \, \mathbf{\hat{z}}& \left(2c\right) & \mbox{In} \\ \mathbf{B}_{4}& = &\frac23 \, \mathbf{a}_{1}+ \frac13 \, \mathbf{a}_{2}+ \frac34 \, \mathbf{a}_{3}& = &\frac12 \, a \, \mathbf{\hat{x}}- \frac{1}{2\sqrt{3}} \, a \, \mathbf{\hat{y}}+ \frac34 \, c \, \mathbf{\hat{z}}& \left(2c\right) & \mbox{In} \\ \mathbf{B}_{5}& = &\frac13 \, \mathbf{a}_{1}+ \frac23 \, \mathbf{a}_{2}+ \frac34 \, \mathbf{a}_{3}& = &\frac12 \, a \, \mathbf{\hat{x}}+ \frac{1}{2\sqrt{3}} \, a \, \mathbf{\hat{y}}+ \frac34 \, c \, \mathbf{\hat{z}}& \left(2d\right) & \mbox{Ni II} \\ \mathbf{B}_{6}& = &\frac23 \, \mathbf{a}_{1}+ \frac13 \, \mathbf{a}_{2}+ \frac14 \, \mathbf{a}_{3}& = &\frac12 \, a \, \mathbf{\hat{x}}- \frac{1}{2\sqrt{3}} \, a \, \mathbf{\hat{y}}+ \frac14 \, c \, \mathbf{\hat{z}}& \left(2d\right) & \mbox{Ni II} \\ \end{array} \]

References

  • M. Ellner, Über die kristallchemischen parameter der Ni–, Co– und Fe–haltigen phasen vom NiAs–Typ, J. Less–Common Met. 48, 21–52 (1976), doi:10.1016/0022-5088(76)90231-9.

Found in

  • P. Villars, K. Cenzual, R. Gladyshevskii, O. Shcherban, V. Dubenskyy, V. Kuprysyuk, I. Savesyuk, and R. Zaremba, Landolt–Börnstein – Group III Condensed Matter (Springer–Verlag GmbH, Heidelberg, 2012). Accessed through the Springer Materials site.

Geometry files


Prototype Generator

aflow --proto=AB2_hP6_194_c_ad --params=

Species:

Running:

Output: