Table 3.
x1 | y1 | z1 | x2 | y2 | z2 | C2† | |
---|---|---|---|---|---|---|---|
a | −0.681 | −0.201 | −0.704 | +0.177 | +0.257 | +0.950 | +0.282 |
b | −0.440 | +0.881 | +0.174 | −0.557 | −0.769 | +0.312 | +0.558 |
c | +0.585 | +0.428 | −0.688 | +0.811 | −0.585 | +0.007 | −0.781 |
Orientations for other sites can be obtained by using the symmetry operations of the P212121 space group; a, b, and c are the crystal axes.
C2 denotes the dimer axis for the considered crystal site.