CsPr[MoO4]2 Structure: AB2C8D_oP24_49_g_q_2qr_e

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Prototype : CsPr[MoO4]2
AFLOW prototype label : AB2C8D_oP24_49_g_q_2qr_e
Strukturbericht designation : None
Pearson symbol : oP24
Space group number : 49
Space group symbol : $Pccm$
AFLOW prototype command : aflow --proto=AB2C8D_oP24_49_g_q_2qr_e
--params=
$a$,$b/a$,$c/a$,$x_{3}$,$y_{3}$,$x_{4}$,$y_{4}$,$x_{5}$,$y_{5}$,$x_{6}$,$y_{6}$,$z_{6}$


Simple Orthorhombic primitive vectors:

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

Basis vectors:

\[ \begin{array}{ccccccc} & & \mbox{Lattice Coordinates} & & \mbox{Cartesian Coordinates} &\mbox{Wyckoff Position} & \mbox{Atom Type} \\ \mathbf{B}_{1} & = & \frac{1}{4} \, \mathbf{a}_{3} & = & \frac{1}{4}c \, \mathbf{\hat{z}} & \left(2e\right) & \mbox{Pr} \\ \mathbf{B}_{2} & = & \frac{3}{4} \, \mathbf{a}_{3} & = & \frac{3}{4}c \, \mathbf{\hat{z}} & \left(2e\right) & \mbox{Pr} \\ \mathbf{B}_{3} & = & \frac{1}{2} \, \mathbf{a}_{2} + \frac{1}{4} \, \mathbf{a}_{3} & = & \frac{1}{2}b \, \mathbf{\hat{y}} + \frac{1}{4}c \, \mathbf{\hat{z}} & \left(2g\right) & \mbox{Cs} \\ \mathbf{B}_{4} & = & \frac{1}{2} \, \mathbf{a}_{2} + \frac{3}{4} \, \mathbf{a}_{3} & = & \frac{1}{2}b \, \mathbf{\hat{y}} + \frac{3}{4}c \, \mathbf{\hat{z}} & \left(2g\right) & \mbox{Cs} \\ \mathbf{B}_{5} & = & x_{3} \, \mathbf{a}_{1} + y_{3} \, \mathbf{a}_{2} & = & x_{3}a \, \mathbf{\hat{x}} + y_{3}b \, \mathbf{\hat{y}} & \left(4q\right) & \mbox{Mo} \\ \mathbf{B}_{6} & = & -x_{3} \, \mathbf{a}_{1}-y_{3} \, \mathbf{a}_{2} & = & -x_{3}a \, \mathbf{\hat{x}}-y_{3}b \, \mathbf{\hat{y}} & \left(4q\right) & \mbox{Mo} \\ \mathbf{B}_{7} & = & -x_{3} \, \mathbf{a}_{1} + y_{3} \, \mathbf{a}_{2} + \frac{1}{2} \, \mathbf{a}_{3} & = & -x_{3}a \, \mathbf{\hat{x}} + y_{3}b \, \mathbf{\hat{y}} + \frac{1}{2}c \, \mathbf{\hat{z}} & \left(4q\right) & \mbox{Mo} \\ \mathbf{B}_{8} & = & x_{3} \, \mathbf{a}_{1}-y_{3} \, \mathbf{a}_{2} + \frac{1}{2} \, \mathbf{a}_{3} & = & x_{3}a \, \mathbf{\hat{x}}-y_{3}b \, \mathbf{\hat{y}} + \frac{1}{2}c \, \mathbf{\hat{z}} & \left(4q\right) & \mbox{Mo} \\ \mathbf{B}_{9} & = & x_{4} \, \mathbf{a}_{1} + y_{4} \, \mathbf{a}_{2} & = & x_{4}a \, \mathbf{\hat{x}} + y_{4}b \, \mathbf{\hat{y}} & \left(4q\right) & \mbox{O I} \\ \mathbf{B}_{10} & = & -x_{4} \, \mathbf{a}_{1}-y_{4} \, \mathbf{a}_{2} & = & -x_{4}a \, \mathbf{\hat{x}}-y_{4}b \, \mathbf{\hat{y}} & \left(4q\right) & \mbox{O I} \\ \mathbf{B}_{11} & = & -x_{4} \, \mathbf{a}_{1} + y_{4} \, \mathbf{a}_{2} + \frac{1}{2} \, \mathbf{a}_{3} & = & -x_{4}a \, \mathbf{\hat{x}} + y_{4}b \, \mathbf{\hat{y}} + \frac{1}{2}c \, \mathbf{\hat{z}} & \left(4q\right) & \mbox{O I} \\ \mathbf{B}_{12} & = & x_{4} \, \mathbf{a}_{1}-y_{4} \, \mathbf{a}_{2} + \frac{1}{2} \, \mathbf{a}_{3} & = & x_{4}a \, \mathbf{\hat{x}}-y_{4}b \, \mathbf{\hat{y}} + \frac{1}{2}c \, \mathbf{\hat{z}} & \left(4q\right) & \mbox{O I} \\ \mathbf{B}_{13} & = & x_{5} \, \mathbf{a}_{1} + y_{5} \, \mathbf{a}_{2} & = & x_{5}a \, \mathbf{\hat{x}} + y_{5}b \, \mathbf{\hat{y}} & \left(4q\right) & \mbox{O II} \\ \mathbf{B}_{14} & = & -x_{5} \, \mathbf{a}_{1}-y_{5} \, \mathbf{a}_{2} & = & -x_{5}a \, \mathbf{\hat{x}}-y_{5}b \, \mathbf{\hat{y}} & \left(4q\right) & \mbox{O II} \\ \mathbf{B}_{15} & = & -x_{5} \, \mathbf{a}_{1} + y_{5} \, \mathbf{a}_{2} + \frac{1}{2} \, \mathbf{a}_{3} & = & -x_{5}a \, \mathbf{\hat{x}} + y_{5}b \, \mathbf{\hat{y}} + \frac{1}{2}c \, \mathbf{\hat{z}} & \left(4q\right) & \mbox{O II} \\ \mathbf{B}_{16} & = & x_{5} \, \mathbf{a}_{1}-y_{5} \, \mathbf{a}_{2} + \frac{1}{2} \, \mathbf{a}_{3} & = & x_{5}a \, \mathbf{\hat{x}}-y_{5}b \, \mathbf{\hat{y}} + \frac{1}{2}c \, \mathbf{\hat{z}} & \left(4q\right) & \mbox{O II} \\ \mathbf{B}_{17} & = & x_{6} \, \mathbf{a}_{1} + y_{6} \, \mathbf{a}_{2} + z_{6} \, \mathbf{a}_{3} & = & x_{6}a \, \mathbf{\hat{x}} + y_{6}b \, \mathbf{\hat{y}} + z_{6}c \, \mathbf{\hat{z}} & \left(8r\right) & \mbox{O III} \\ \mathbf{B}_{18} & = & -x_{6} \, \mathbf{a}_{1}-y_{6} \, \mathbf{a}_{2} + z_{6} \, \mathbf{a}_{3} & = & -x_{6}a \, \mathbf{\hat{x}}-y_{6}b \, \mathbf{\hat{y}} + z_{6}c \, \mathbf{\hat{z}} & \left(8r\right) & \mbox{O III} \\ \mathbf{B}_{19} & = & -x_{6} \, \mathbf{a}_{1} + y_{6} \, \mathbf{a}_{2} + \left(\frac{1}{2} - z_{6}\right) \, \mathbf{a}_{3} & = & -x_{6}a \, \mathbf{\hat{x}} + y_{6}b \, \mathbf{\hat{y}} + \left(\frac{1}{2} - z_{6}\right)c \, \mathbf{\hat{z}} & \left(8r\right) & \mbox{O III} \\ \mathbf{B}_{20} & = & x_{6} \, \mathbf{a}_{1}-y_{6} \, \mathbf{a}_{2} + \left(\frac{1}{2} - z_{6}\right) \, \mathbf{a}_{3} & = & x_{6}a \, \mathbf{\hat{x}}-y_{6}b \, \mathbf{\hat{y}} + \left(\frac{1}{2} - z_{6}\right)c \, \mathbf{\hat{z}} & \left(8r\right) & \mbox{O III} \\ \mathbf{B}_{21} & = & -x_{6} \, \mathbf{a}_{1}-y_{6} \, \mathbf{a}_{2}-z_{6} \, \mathbf{a}_{3} & = & -x_{6}a \, \mathbf{\hat{x}}-y_{6}b \, \mathbf{\hat{y}}-z_{6}c \, \mathbf{\hat{z}} & \left(8r\right) & \mbox{O III} \\ \mathbf{B}_{22} & = & x_{6} \, \mathbf{a}_{1} + y_{6} \, \mathbf{a}_{2}-z_{6} \, \mathbf{a}_{3} & = & x_{6}a \, \mathbf{\hat{x}} + y_{6}b \, \mathbf{\hat{y}}-z_{6}c \, \mathbf{\hat{z}} & \left(8r\right) & \mbox{O III} \\ \mathbf{B}_{23} & = & x_{6} \, \mathbf{a}_{1}-y_{6} \, \mathbf{a}_{2} + \left(\frac{1}{2} +z_{6}\right) \, \mathbf{a}_{3} & = & x_{6}a \, \mathbf{\hat{x}}-y_{6}b \, \mathbf{\hat{y}} + \left(\frac{1}{2} +z_{6}\right)c \, \mathbf{\hat{z}} & \left(8r\right) & \mbox{O III} \\ \mathbf{B}_{24} & = & -x_{6} \, \mathbf{a}_{1} + y_{6} \, \mathbf{a}_{2} + \left(\frac{1}{2} +z_{6}\right) \, \mathbf{a}_{3} & = & -x_{6}a \, \mathbf{\hat{x}} + y_{6}b \, \mathbf{\hat{y}} + \left(\frac{1}{2} +z_{6}\right)c \, \mathbf{\hat{z}} & \left(8r\right) & \mbox{O III} \\ \end{array} \]

References

  • V. A. Vinokurov and P. V. Klevtsov, Polymorphism and crystallization of binary cesium–rare earth molybdates CsLn(MoO4)2, Sov. Phys. Crystallogr. 17, 102–106 (1972).

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=AB2C8D_oP24_49_g_q_2qr_e --params=

Species:

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