Abstract
A redetermination of the crystal structure of zeophyllite, idealized Ca13Si10O28F10.6H2O [a=9.377(2), c=36.57(2) A; Z=3], space group R3 (No. 148) yielded R = 0.033 for 2238 observed single crystal X-ray data (Fo > 3σFo). The atomic coordinates in combination with the anisotropic thermal displacement parameters as well as the internal R-value from merging equivalent intensities gave no evidence for a violation of trigonal symmetry. The structure is characterized by SiO4 tetrahedra combined to open branched vierer single layers in an arrangement normal to the threefold axes. These layers are connected via the Ca(O,F)x polyhedra and hydrogen bridges to a framework with a pronounced cleavage parallel to (00.1). The statistic . occurrence of Si-OH groups in parts of the structure was confirmed by IR-investigations.
Published Version
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