Abstract

The structure of CaB8O11(OH)4 (calcium octa­borate tetra­hydroxide) [Zayakina & Brovkin (1978). Kristallografiya, 23, 1167–1170] has been redetermined at 120 (2) K with improved precision. The O—H⋯O hydrogen-bonding arrangement has been established, based on freely refined H-atom positions.

Highlights

  • The three-coordinate O8 species (Table 1) is a distinctive feature of these units. Each of these triple-six-ring units have six O atoms that do not contribute to the ring formation

  • Nine O atoms coordinate to the calcium cation, with Ca—O distances ranging from 2.482 (2) to 2.634 (2) A (Table 1)

  • Six of these Ca—O bonds arise from the 18-atom ring, and two H3B2O5 units that occur above and below the plane complete the Ca nine-coordination

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Summary

Structure Reports Online

During the investigation of templated boroarsenate frameworks, single crystals of the known (Zayakina & Brovkin, 1978) title compound, (I) (Fig. 1), were obtained from a molten salt reaction of CaCl2, H3BO3 and NH4(H2AsO4). This redetermination at 120 (2) K offers a significantly better structural model and the H-atom positions and hydrogenbonding scheme have been established. The three-coordinate O8 species (Table 1) is a distinctive feature of these units Each of these triple-six-ring units have six O atoms that do not contribute to the ring formation.

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