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Figure 4 Ellipsoidal view of the schaurteite structure down [001], showing red O atoms, yellow S atoms, green Ge atoms, and light blue Ca atoms. Unit cell outline shown in black. The large circular ellipsoid at [2/3,1/3,z] represents the O1 atom (3 m. symmetry), which forms the apex of a rigid SO4 tetrahedron with significant translation (0.73 Å) and libration (7.97°). |