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absorption Acla Acta Cryst Amer analysis anisotropic approximately assumed average axes axis beam bond angles bond lengths Bragg calculated structure factors carbon atoms Chem coefficients compounds computed contour correction corresponding Cryat crystal structure crystallographic determined diffraction dimensions direction distances electron density equation error experimental film final Fourier g.cm given in Table hexagonal homometric hydrogen atoms hydrogen bonds indicated intensities isotropic Laboratory lattice constants layer listed in Table measured method microcline molecular monoclinic neutron neutron diffraction obtained orthoclase orthorhombic oxygen oxygen atoms pairs parallel parameters Patterson function peaks phase photographs Phys plane positions powder projection radiation reﬂections reflexions ring rotation scattering factors shown in Fig shows single crystal space group standard deviations structure factors symmetry synthesis temperature factors tetragonal thermal three-dimensional tion unit cell values vector water molecules wave Weissenberg X-ray