Encyclopedia of Crystallographic Prototypes

AFLOW Prototype: AB_oP16_61_c_c

  • M. J. Mehl, D. Hicks, C. Toher, O. Levy, R. M. Hanson, G. L. W. Hart, and S. Curtarolo, The AFLOW Library of Crystallographic Prototypes: Part 1, Comp. Mat. Sci. 136, S1-S828 (2017). (doi=10.1016/j.commatsci.2017.01.017)
  • D. Hicks, M. J. Mehl, E. Gossett, C. Toher, O. Levy, R. M. Hanson, G. L. W. Hart, and S. Curtarolo, The AFLOW Library of Crystallographic Prototypes: Part 2, Comp. Mat. Sci. 161, S1-S1011 (2019). (doi=10.1016/j.commatsci.2018.10.043)
  • D. Hicks, M.J. Mehl, M. Esters, C. Oses, O. Levy, G.L.W. Hart, C. Toher, and S. Curtarolo, The AFLOW Library of Crystallographic Prototypes: Part 3, Comp. Mat. Sci. 199, 110450 (2021). (doi=10.1016/j.commatsci.2021.110450)

CdSb ($B_{e}$) Structure: AB_oP16_61_c_c

Picture of Structure; Click for Big Picture
Prototype : CdSb
AFLOW prototype label : AB_oP16_61_c_c
Strukturbericht designation : $B_{e}$
Pearson symbol : oP16
Space group number : 61
Space group symbol : $\text{Pbca}$
AFLOW prototype command : aflow --proto=AB_oP16_61_c_c
--params=
$a$,$b/a$,$c/a$,$x_{1}$,$y_{1}$,$z_{1}$,$x_{2}$,$y_{2}$,$z_{2}$


Other compounds with this structure

  • AsCd, AsZn, SbZn

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} & & \text{Lattice Coordinates} & & \text{Cartesian Coordinates} &\text{Wyckoff Position} & \text{Atom Type} \\ \mathbf{B}_{1} & =&x_{1} \, \mathbf{a}_{1}+ y_{1} \, \mathbf{a}_{2}+ z_{1} \, \mathbf{a}_{3}& =&x_{1} \, a \, \mathbf{\hat{x}}+ y_{1} \, b \, \mathbf{\hat{y}}+ z_{1} \, c \, \mathbf{\hat{z}}& \left(8c\right) & \text{Cd} \\ \mathbf{B}_{2} & =&\left(\frac12 - x_{1}\right) \, \mathbf{a}_{1}- y_{1} \, \mathbf{a}_{2}+ \left(\frac12 + z_{1}\right) \, \mathbf{a}_{3}& =&\left(\frac12 - x_{1}\right) \, a \, \mathbf{\hat{x}}- y_{1} \, b \, \mathbf{\hat{y}}+ \left(\frac12 + z_{1}\right) \, c \, \mathbf{\hat{z}}& \left(8c\right) & \text{Cd} \\ \mathbf{B}_{3} & =&- x_{1} \, \mathbf{a}_{1}+ \left(\frac12 + y_{1}\right) \, \mathbf{a}_{2}+ \left(\frac12 - z_{1}\right) \, \mathbf{a}_{3}& =&- x_{1} \, a \, \mathbf{\hat{x}}+ \left(\frac12 + y_{1}\right) \, b \, \mathbf{\hat{y}}+ \left(\frac12 - z_{1}\right) \, c \, \mathbf{\hat{z}}& \left(8c\right) & \text{Cd} \\ \mathbf{B}_{4} & =&\left(\frac12 + x_{1}\right) \, \mathbf{a}_{1}+ \left(\frac12 - y_{1}\right) \, \mathbf{a}_{2}- z_{1} \, \mathbf{a}_{3}& =&\left(\frac12 + x_{1}\right) \, a \, \mathbf{\hat{x}}+ \left(\frac12 - y_{1}\right) \, b \, \mathbf{\hat{y}}- z_{1} \, c \, \mathbf{\hat{z}}& \left(8c\right) & \text{Cd} \\ \mathbf{B}_{5} & =&- x_{1} \, \mathbf{a}_{1}- y_{1} \, \mathbf{a}_{2}- z_{1} \, \mathbf{a}_{3}& =&- x_{1} \, a \, \mathbf{\hat{x}}- y_{1} \, b \, \mathbf{\hat{y}}- z_{1} \, c \, \mathbf{\hat{z}}& \left(8c\right) & \text{Cd} \\ \mathbf{B}_{6} & =&\left(\frac12 + x_{1}\right) \, \mathbf{a}_{1}+ y_{1} \, \mathbf{a}_{2}+ \left(\frac12 - z_{1}\right) \, \mathbf{a}_{3}& =&\left(\frac12 + x_{1}\right) \, a \, \mathbf{\hat{x}}+ y_{1} \, b \, \mathbf{\hat{y}}+ \left(\frac12 - z_{1}\right) \, c \, \mathbf{\hat{z}}& \left(8c\right) & \text{Cd} \\ \mathbf{B}_{7} & =&x_{1} \, \mathbf{a}_{1}+ \left(\frac12 - y_{1}\right) \, \mathbf{a}_{2}+ \left(\frac12 + z_{1}\right) \, \mathbf{a}_{3}& =&x_{1} \, a \, \mathbf{\hat{x}}+ \left(\frac12 - y_{1}\right) \, b \, \mathbf{\hat{y}}+ \left(\frac12 + z_{1}\right) \, c \, \mathbf{\hat{z}}& \left(8c\right) & \text{Cd} \\ \mathbf{B}_{8} & =&\left(\frac12 - x_{1}\right) \, \mathbf{a}_{1}+ \left(\frac12 + y_{1}\right) \, \mathbf{a}_{2}+ z_{1} \, \mathbf{a}_{3}& =&\left(\frac12 - x_{1}\right) \, a \, \mathbf{\hat{x}}+ \left(\frac12 + y_{1}\right) \, b \, \mathbf{\hat{y}}+ z_{1} \, c \, \mathbf{\hat{z}}& \left(8c\right) & \text{Cd} \\ \mathbf{B}_{9} & =&x_{2} \, \mathbf{a}_{1}+ y_{2} \, \mathbf{a}_{2}+ z_{2} \, \mathbf{a}_{3}& =&x_{2} \, a \, \mathbf{\hat{x}}+ y_{2} \, b \, \mathbf{\hat{y}}+ z_{2} \, c \, \mathbf{\hat{z}}& \left(8c\right) & \text{Sb} \\ \mathbf{B}_{10} & =&\left(\frac12 - x_{2}\right) \, \mathbf{a}_{1}- y_{2} \, \mathbf{a}_{2}+ \left(\frac12 + z_{2}\right) \, \mathbf{a}_{3}& =&\left(\frac12 - x_{2}\right) \, a \, \mathbf{\hat{x}}- y_{2} \, b \, \mathbf{\hat{y}}+ \left(\frac12 + z_{2}\right) \, c \, \mathbf{\hat{z}}& \left(8c\right) & \text{Sb} \\ \mathbf{B}_{11} & =&- x_{2} \, \mathbf{a}_{1}+ \left(\frac12 + y_{2}\right) \, \mathbf{a}_{2}+ \left(\frac12 - z_{2}\right) \, \mathbf{a}_{3}& =&- x_{2} \, a \, \mathbf{\hat{x}}+ \left(\frac12 + y_{2}\right) \, b \, \mathbf{\hat{y}}+ \left(\frac12 - z_{2}\right) \, c \, \mathbf{\hat{z}}& \left(8c\right) & \text{Sb} \\ \mathbf{B}_{12} & =&\left(\frac12 + x_{2}\right) \, \mathbf{a}_{1}+ \left(\frac12 - y_{2}\right) \, \mathbf{a}_{2}- z_{2} \, \mathbf{a}_{3}& =&\left(\frac12 + x_{2}\right) \, a \, \mathbf{\hat{x}}+ \left(\frac12 - y_{2}\right) \, b \, \mathbf{\hat{y}}- z_{2} \, c \, \mathbf{\hat{z}}& \left(8c\right) & \text{Sb} \\ \mathbf{B}_{13} & =&- x_{2} \, \mathbf{a}_{1}- y_{2} \, \mathbf{a}_{2}- z_{2} \, \mathbf{a}_{3}& =&- x_{2} \, a \, \mathbf{\hat{x}}- y_{2} \, b \, \mathbf{\hat{y}}- z_{2} \, c \, \mathbf{\hat{z}}& \left(8c\right) & \text{Sb} \\ \mathbf{B}_{14} & =&\left(\frac12 + x_{2}\right) \, \mathbf{a}_{1}+ y_{2} \, \mathbf{a}_{2}+ \left(\frac12 - z_{2}\right) \, \mathbf{a}_{3}& =&\left(\frac12 + x_{2}\right) \, a \, \mathbf{\hat{x}}+ y_{2} \, b \, \mathbf{\hat{y}}+ \left(\frac12 - z_{2}\right) \, c \, \mathbf{\hat{z}}& \left(8c\right) & \text{Sb} \\ \mathbf{B}_{15} & =&x_{2} \, \mathbf{a}_{1}+ \left(\frac12 - y_{2}\right) \, \mathbf{a}_{2}+ \left(\frac12 + z_{2}\right) \, \mathbf{a}_{3}& =&x_{2} \, a \, \mathbf{\hat{x}}+ \left(\frac12 - y_{2}\right) \, b \, \mathbf{\hat{y}}+ \left(\frac12 + z_{2}\right) \, c \, \mathbf{\hat{z}}& \left(8c\right) & \text{Sb} \\ \mathbf{B}_{16} & =&\left(\frac12 - x_{2}\right) \, \mathbf{a}_{1}+ \left(\frac12 + y_{2}\right) \, \mathbf{a}_{2}+ z_{2} \, \mathbf{a}_{3}& =&\left(\frac12 - x_{2}\right) \, a \, \mathbf{\hat{x}}+ \left(\frac12 + y_{2}\right) \, b \, \mathbf{\hat{y}}+ z_{2} \, c \, \mathbf{\hat{z}}& \left(8c\right) & \text{Sb} \\ \end{array} \]

References

Geometry files


Prototype Generator

aflow --proto=AB_oP16_61_c_c --params=

Species:

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Output: