Crystal structure of the double carbonate K2Ca2(CO3)(3)

• The crystal structure of K2Ca2(CO3)(3) was determined from single-crystal X-ray diffraction data. This double carbonate crystallises in the space group R3 (No. 146), with unit-cell dimensions a = 13.010(4), c = 8.615(3)Angstrom, V = 1262.9(9) Angstrom(3) and Z = 6. Anisotropic refinements gave R-w = 0.018 for 816 unique reflections. The two crystallographically different carbonate ions are located in columns around the three-fold axes at which 1/4 of the cations are situated (one Ca2+ and one K+), the remainder being located in general positions between the carbonate columns. The carbonate ions are more or less inclined relative to the (001)-plane and do not form an unequivocally layered structure. Experimental and calculated powder X-ray diffraction data for K2Ca2(CO3)(3) are presented.

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