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Title

Structure refinement of trigonal zinc chloride boracite, Zn3B7O13Cl, from single-crystal and powder x-ray diffraction

Authors
Mendoza-Alvarez, Maria Eugenia
Depmeier, Wulf
Published in Ferroelectrics. 1991, vol. 115, no. 1-3, p. 91-96
Abstract Zn3B7O13Cl is trigonal, space group R3c, with a 8.53725(7) and c 20.96849(25) .ANG.; d.(calcd.) = 3.8931. Final Rp = 0.081 and RB = 0.047 for 35 reflections and 44 parameters from powder profile refinement; R = 0.051 for 1568 reflections and 74 parameters from single-crystal refinement. At. coordinates are given. A comparison with isostructural Fe3B7O13Cl, suggests that the magnitude of the rhombohedral lattice shear in trigonal boracites depends in a complex manner on the bonding requirement of the 5-coordinate metal ions, and the space requirement of an O-B framework that is relatively rigid with respect to changes of O-B bond lengths and O-O contact distances, but more flexible with respect to changes of bond angles and torsion angles.
Keywords BoraciteX-ray diffractionStructure
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Structures
Project FNS: 1990
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MAO, Shao Yu et al. Structure refinement of trigonal zinc chloride boracite, Zn3B7O13Cl, from single-crystal and powder x-ray diffraction. In: Ferroelectrics, 1991, vol. 115, n° 1-3, p. 91-96. https://archive-ouverte.unige.ch/unige:31378

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