Li2PrO3 Structure : A2B3C_oC12_65_h_bh_a

Picture of Structure; Click for Big Picture
Prototype : Li2O3Pr
AFLOW prototype label : A2B3C_oC12_65_h_bh_a
Strukturbericht designation : None
Pearson symbol : oC12
Space group number : 65
Space group symbol : $Cmmm$
AFLOW prototype command : aflow --proto=A2B3C_oC12_65_h_bh_a
--params=
$a$,$b/a$,$c/a$,$x_{3}$,$x_{4}$


Other compounds with this structure

  • Na2PrO3

  • Data was taken at 20K.

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:

\[ \begin{array}{ccccccc} & & \mbox{Lattice Coordinates} & & \mbox{Cartesian Coordinates} &\mbox{Wyckoff Position} & \mbox{Atom Type} \\ \mathbf{B}_{1} & = & 0 \, \mathbf{a}_{1} + 0 \, \mathbf{a}_{2} + 0 \, \mathbf{a}_{3} & = & 0 \, \mathbf{\hat{x}} + 0 \, \mathbf{\hat{y}} + 0 \, \mathbf{\hat{z}} & \left(2a\right) & \mbox{Pr} \\ \mathbf{B}_{2} & = & \frac{1}{2} \, \mathbf{a}_{1} + \frac{1}{2} \, \mathbf{a}_{2} & = & \frac{1}{2}a \, \mathbf{\hat{x}} & \left(2b\right) & \mbox{O I} \\ \mathbf{B}_{3} & = & x_{3} \, \mathbf{a}_{1} + x_{3} \, \mathbf{a}_{2} + \frac{1}{2} \, \mathbf{a}_{3} & = & x_{3}a \, \mathbf{\hat{x}} + \frac{1}{2}c \, \mathbf{\hat{z}} & \left(4h\right) & \mbox{Li} \\ \mathbf{B}_{4} & = & -x_{3} \, \mathbf{a}_{1}-x_{3} \, \mathbf{a}_{2} + \frac{1}{2} \, \mathbf{a}_{3} & = & -x_{3}a \, \mathbf{\hat{x}} + \frac{1}{2}c \, \mathbf{\hat{z}} & \left(4h\right) & \mbox{Li} \\ \mathbf{B}_{5} & = & x_{4} \, \mathbf{a}_{1} + x_{4} \, \mathbf{a}_{2} + \frac{1}{2} \, \mathbf{a}_{3} & = & x_{4}a \, \mathbf{\hat{x}} + \frac{1}{2}c \, \mathbf{\hat{z}} & \left(4h\right) & \mbox{O II} \\ \mathbf{B}_{6} & = & -x_{4} \, \mathbf{a}_{1}-x_{4} \, \mathbf{a}_{2} + \frac{1}{2} \, \mathbf{a}_{3} & = & -x_{4}a \, \mathbf{\hat{x}} + \frac{1}{2}c \, \mathbf{\hat{z}} & \left(4h\right) & \mbox{O II} \\ \end{array} \]

References

  • Y. Hinatsu and Y. Doi, Crystal structures and magnetic properties of alkali–metal lanthanide oxides $A2$Ln$O3 ($A$ = Li, Na; $Ln$ = Ce, Pr, Tb), J. Alloys\ Compd. 418, 155–160 (2006), doi:10.1016/j.jallcom.2005.08.100.

Geometry files


Prototype Generator

aflow --proto=A2B3C_oC12_65_h_bh_a --params=

Species:

Running:

Output: