MgSO4 Structure: AB4C_oC24_63_a_fg_c

Picture of Structure; Click for Big Picture
Prototype : MgOS
AFLOW prototype label : AB4C_oC24_63_a_fg_c
Strukturbericht designation : None
Pearson symbol : oC24
Space group number : 63
Space group symbol : $Cmcm$
AFLOW prototype command : aflow --proto=AB4C_oC24_63_a_fg_c
--params=
$a$,$b/a$,$c/a$,$y_{2}$,$y_{3}$,$z_{3}$,$x_{4}$,$y_{4}$


Other compounds with this structure

  • CdCrO4, CoCrO4, CuCrO4, MgCrO4, MnCrO4, NiCrO4, ZnCrO4, AlPO4, $\beta$-CrPO4, FePO4, InPO4, TlPO4, TlPO4, VPO4, CdSO4, CoSO4, CuSO4, FeSO4, NiSO4, ZnSO4, CoSeO4, CuSeO4, MnSeO4, ZnSeO4, CrVO4, FeVO4, InVO4, and TlVO4

  • (Baran, 1998) gives CrVO$_{4}$ or $\beta$-CrPO$_{4}$ as the prototype for this structure.

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

References

  • P. J. Rentzeperis and C. T. Soldatos, The crystal structure of the anhydrous magnesium sulphate, Acta Cryst. 11, 686–688 (1958), doi:10.1107/S0365110X58001857.
  • E. J. Baran, Review: Materials belonging to the CrVO4 structure type: preparation, crystal chemistry and physicochemical properties, J. Mater. Sci. 33, 2479–2497 (1998), doi:10.1023/A:1004380530309.

Found in

  • R. T. Downs and M. Hall–Wallace, The American Mineralogist Crystal Structure Database, Am. Mineral. 88, 247–250 (2003).

Geometry files


Prototype Generator

aflow --proto=AB4C_oC24_63_a_fg_c --params=

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