H-bonding network in allactite, Mn7(AsO4)2(OH)8
The aim of the present study is a reinvestigation of the crystal structure of allactite, Mn7(AsO4)2(OH)8, at 20 K by single-crystal neutron diffraction, in order to provide: a) an unambiguous location of all the proton sites and the description of the complex H-bonding network expected in allactite structure; b) the anisotropic displacement parameters of all the atomic sites, including the H-sites. The vibrational regime of protons is significant at room-T in this class of materials, and so low-T data are needed for a better localization of protons. As X-ray diffraction data have proven to be inadequate to locate directly the H atoms in allactite structure, single-crystal neutron diffraction represents the best experimental technique to answer the open questions about the crystal structure/crystal chemistry of this hydrous Mn-arsenate.
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GATTA Giacomo Diego and FERNANDEZ DIAZ Maria Teresa. (2015). H-bonding network in allactite, Mn7(AsO4)2(OH)8. Institut Laue-Langevin (ILL) doi:10.5291/ILL-DATA.5-11-407
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