Coexisting hydroxyl groups and H2O molecules in minerals: A single-crystal neutron diffraction study of eosphorite, MnAlPO4(OH)2·H2O (Articolo in rivista)

Type
Label
  • Coexisting hydroxyl groups and H2O molecules in minerals: A single-crystal neutron diffraction study of eosphorite, MnAlPO4(OH)2·H2O (Articolo in rivista) (literal)
Anno
  • 2013-01-01T00:00:00+01:00 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi
  • 10.2138/am.2013.4438 (literal)
Alternative label
  • G. Diego Gatta,1,* Gwilherm Nénert,2 and Pietro Vign ola1,3 (2013)
    Coexisting hydroxyl groups and H2O molecules in minerals: A single-crystal neutron diffraction study of eosphorite, MnAlPO4(OH)2·H2O
    in The American mineralogist
    (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
  • G. Diego Gatta,1,* Gwilherm Nénert,2 and Pietro Vign ola1,3 (literal)
Pagina inizio
  • 1297 (literal)
Pagina fine
  • 1301 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#url
  • http://dx.doi.org/10.2138/am.2013.4438 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume
  • 98 (literal)
Rivista
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#pagineTotali
  • 5 (literal)
Note
  • ISI Web of Science (WOS) (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni
  • 1Dipartimento di Scienze della Terra, Universitá degli Studi di Milano, Via Botticelli 23, I-20133 Milano, Italy 2Institut Laue-Langevin, BP 156, 38042 Grenoble Cedex 9, France 3CNR-Istituto per la Dinamica dei Processi Ambientali, Via Mario Bianco 9, I-20131 Milano, Italy (literal)
Titolo
  • Coexisting hydroxyl groups and H2O molecules in minerals: A single-crystal neutron diffraction study of eosphorite, MnAlPO4(OH)2·H2O (literal)
Abstract
  • The crystal chemistry of eosphorite from Chamachhu (Skardu District, Baltistan, Pakistan) [(Mn2+0.94Fe2+0.06Al0.01)?1.01AlPO4(OH1.90F0.10)?2·H2O, a = 6.9263(4), b = 10.4356(8), c = 13.5234(10) Å, V = 977.5(1) Å3, space group Cmca, Z = 8], has been reinvestigated by means of electron microprobe analysis in wavelength-dispersive mode and single-crystal neutron diffraction at 20 K. The anisotropic structural refinement has been performed with final agreement index R1 = 0.0381 for 82 refined parameters and 860 unique reflections with Fo > 4?(Fo). The analysis of the difference-Fourier maps of the nuclear density allowed an unambiguous location of the H sites, the description of the H2O molecule and the OH-group configuration, along with the hydrogen-bonding scheme. We can now describe the structure of eosphorite as built by (Mn,Fe)O4(OH,H2O)2 and AlO2(OH)2(OH,H2O)2 octahedra, which both form chains running along [100]. The two types of chains are connected, via shared corners, to form a set of (100) sheets held together by P-tetrahedra (and hydrogen bonds) to form a three-dimensional framework. This material provides the rare opportunity to investigate the H-bond configuration of coexisting hydroxyl groups and H2O molecules in minerals by single-crystal neutron diffraction. (literal)
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