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Keywords:

  • Earlandite;
  • Calcium;
  • Citrates;
  • X-ray diffraction;
  • Hydrothermal synthesis

Abstract

From hydrothermal synthesis needle-shaped crystals of [Ca3(C6H5O7)2(H2O)2]·2H2O were obtained. The crystal structure was determined by single-crystal X-ray experiments and confirmed by powder data (Pequation image (no. 2) a = 5.9466(4), b = 10.2247(8), c = 16.6496(13) Å, α = 72.213(7)°, β = 79.718(7)°, γ = 89.791(6)°, V = 947.06(13) Å3, Z = 2, R1 = 0.0426, wR2 = 0.1037). The structure was obtained from pseudo merohedrically polysynthetic twinned crystals using a combined data collection approach and refinement processes. The observed three-dimensional network is dominated by eightfold coordinated Ca2+ cations linked by citrate anions and hydrogen bonds between two non-coordinating crystal water molecules and two coordinating water molecules.