Cu2Sb ($C38$) Structure: A2B_tP6_129_ac_c

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Prototype : Cu2Sb
AFLOW prototype label : A2B_tP6_129_ac_c
Strukturbericht designation : $C38$
Pearson symbol : tP6
Space group number : 129
Space group symbol : $\mbox{P4/nmm}$
AFLOW prototype command : aflow --proto=A2B_tP6_129_ac_c
--params=
$a$,$c/a$,$z_{2}$,$z_{3}$


Other compounds with this structure

  • AsCu2, As2U, CeSe2, HoSe2, GdO2, HFSb2, Te2U, S2Yb, KMgP, AsKMn, AlGeMn, GeNbSb, SnTeU, numerous others

Simple Tetragonal primitive vectors:

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

Basis vectors:

\[ \begin{array}{ccccccc} & & \mbox{Lattice Coordinates} & & \mbox{Cartesian Coordinates} &\mbox{Wyckoff Position} & \mbox{Atom Type} \\ \mathbf{B}_{1} & =&\frac34 \, \mathbf{a}_{1}+ \frac14 \, \mathbf{a}_{2}& =& \frac34 \, a \, \mathbf{\hat{x}}+ \frac14 \, a \, \mathbf{\hat{y}}& \left(2a\right) & \mbox{Cu I} \\ \mathbf{B}_{2} & =&\frac14 \, \mathbf{a}_{1}+ \frac34 \, \mathbf{a}_{2}& =&\frac14 \, a \, \mathbf{\hat{x}}+ \frac34 \, a \, \mathbf{\hat{y}}& \left(2a\right) & \mbox{Cu I} \\ \mathbf{B}_{3} & =&\frac14 \, \mathbf{a}_{1}+ \frac14 \, \mathbf{a}_{2}+ z_{2} \, \mathbf{a}_{3}& =&\frac14 \, a \, \mathbf{\hat{x}}+ \frac14 \, a \, \mathbf{\hat{y}}+ z_{2} \, c \, \mathbf{\hat{z}}& \left(2c\right) & \mbox{Cu II} \\ \mathbf{B}_{4} & =&\frac34 \, \mathbf{a}_{1}+ \frac34 \, \mathbf{a}_{2}- z_{2} \, \mathbf{a}_{3}& =&\frac34 \, a \, \mathbf{\hat{x}}+ \frac34 \, a \, \mathbf{\hat{y}}- z_{2} \, c \, \mathbf{\hat{z}}& \left(2c\right) & \mbox{Cu II} \\ \mathbf{B}_{5} & =&\frac14 \, \mathbf{a}_{1}+ \frac14 \, \mathbf{a}_{2}+ z_{3} \, \mathbf{a}_{3}& =&\frac14 \, a \, \mathbf{\hat{x}}+ \frac14 \, a \, \mathbf{\hat{y}}+ z_{3} \, c \, \mathbf{\hat{z}}& \left(2c\right) & \mbox{Sb} \\ \mathbf{B}_{6} & =&\frac34 \, \mathbf{a}_{1}+ \frac34 \, \mathbf{a}_{2}- z_{3} \, \mathbf{a}_{3}& =&\frac34 \, a \, \mathbf{\hat{x}}+ \frac34 \, a \, \mathbf{\hat{y}}- z_{3} \, c \, \mathbf{\hat{z}}& \left(2c\right) & \mbox{Sb} \\ \end{array} \]

References

  • W. B. Pearson, The Cu2Sb and related structures, Zeitschrift für Kristallographie 171, 23–39 (1985).

Geometry files


Prototype Generator

aflow --proto=A2B_tP6_129_ac_c --params=

Species:

Running:

Output: