Abstract
The crystal structure of calcium perchlorate anhydrate was determined from laboratory X-ray powder diffraction data. The title compound was obtained by heating hydrated calcium perchlorate [Ca(ClO4)2·xH2O] at 623 K in air for 12 h. It crystallizes in the ortho-rhom-bic space group Pbca and is isotypic with Ca(AlD4)2. The asymmetric unit contains one Ca, two Cl and eight O sites, all on general sites (Wyckoff position 8c). The crystal structure consists of isolated ClO4- tetra-hedra and Ca2+ cations. The Ca2+ cation is coordinated by eight O atoms of eight symmetry-related ClO4- tetra-hedra within a distorted square-anti-prismatic environment.
Highlights
The crystal structure of anhydrous calcium perchlorate, Ca(ClO4)2, is isotypic with that of Ca(AlD4)2 (Sato et al, 2009), but is different from barium or magnesium perchlorates (Lee et al, 2015; Lim et al, 2011)
Different viewing directions of the crystal structure of Ca(ClO4)2 are presented in Fig. 2, using ClO4À tetrahedra and Ca2+ cations
We present here the crystal structure of calcium perchlorate anhydrate, using laboratory powder X-ray diffraction (PXRD) data (Fig. 1)
Summary
The crystal structure of anhydrous calcium perchlorate, Ca(ClO4), is isotypic with that of Ca(AlD4) (Sato et al, 2009), but is different from barium or magnesium perchlorates (Lee et al, 2015; Lim et al, 2011). Different viewing directions of the crystal structure of Ca(ClO4) are presented, using ClO4À tetrahedra and Ca2+ cations. It is coordinated by eight isolated ClO4À tetrahedra with an apex oxygen atom of each tetrahedron bonded to the Ca2+ cation. The crystal structures of the perchlorates of magnesium, barium and other alkaline earth metals have been determined for both hydrated and anhydrous phases (Gallucci & Gerkin, 1988; Lee et al, 2015; Lim et al, 2011; Robertson & Bish, 2010). We present here the crystal structure of calcium perchlorate anhydrate, using laboratory powder X-ray diffraction (PXRD) data (Fig. 1). Improved structure factors were calculated, which were used for the refinement in CRYSTALS These processes were repeated until a complete and sufficient structural model converged. Pseudovoigt profile coefficients as parameterized in Thompson et al (1987), asymmetry correction of Finger et al (1994) and microstrain broadening of Stephens (1999)
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