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Updated: Dec 18, 2025

Optimization of Crystal Growth for Neutron Macromolecular Crystallography
Published on: March 13, 2021
A Refinement of the Crystal Structure of Na2CO3 · H2O
Abstract:
The crystal structure of synthetic Na2CO3·H2O has been refined using 1231 unique x-ray diffraction data collected by the peak height method on a diffractometer. R = 0.034. The unit cell is a = 6.474(2), b= 10.724(3) and c = 5.259(2) Å with z = 4 and space group P21ab. The calculated density is the same as the observed density, 2.26 g·cm-3. The structure contains sheets of ions bonded to Na+ ions and water molecules roughly halfway between the sheets. Each bonds edgewise to both Na+ ions. The Na+ ions have irregular but similar coordinations of seven neighbors. Each water molecule is bonded to both Na+ ions and forms hydrogen bonds to both neighboring layers.
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