RbGa3 Structure: A3B_tI24_119_b2i_af

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Prototype : RbGa3
AFLOW prototype label : A3B_tI24_119_b2i_af
Strukturbericht designation : None
Pearson symbol : tI24
Space group number : 119
Space group symbol : $I\bar{4}m2$
AFLOW prototype command : aflow --proto=A3B_tI24_119_b2i_af
--params=
$a$,$c/a$,$z_{3}$,$x_{4}$,$z_{4}$,$x_{5}$,$z_{5}$


Other compounds with this structure

  • CsGa3, KGa3

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

References

  • R. G. Ling and C. Belin, Preparation and Crystal Structure Determination of the New Intermetallic Compound RbGa3, Z. Anorg. Allg. Chem. 480, 181–185 (1981), doi:10.1002/zaac.19814800923.

Found in

  • P. Villars and L. Calvert, Pearson's Handbook of Crystallographic Data for Intermetallic Phases (ASM International, Materials Park, OK, 1991), vol. III, chap. , p. 3545.

Geometry files


Prototype Generator

aflow --proto=A3B_tI24_119_b2i_af --params=

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