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dc.contributor.authorSerrano Larrea, Edurne
dc.contributor.authorMesa Rueda, José Luis
dc.contributor.authorLegarra Sáez, Estíbaliz
dc.contributor.authorAguayo Urquijo, Andrés Tomás
dc.contributor.authorArriortua Marcaida, María Isabel
dc.identifier.citationActa Crystallographica E72 : 63-65 (2016) // doi:10.1107/S2056989015024007es_ES
dc.description.abstractSingle crystals of the title compound, potassium hexaphosphitopentaferrate( II,III) hemihydrate, K0.75[FeII 3.75FeIII 1.25(HPO3)6] 0.5H2O, were grown under mild hydrothermal conditions. The crystal structure is isotypic with Li1.43[FeII 4.43FeIII 0.57(HPO3)6] 1.5H2O and (NH4)2[FeII 5(HPO3)6] and exhibits a [FeII 3.75FeIII 1.25(HPO3)6]0.75 open framework with disordered K+ (occupancy 3/4) as counter-cations. The anionic framework is based on (001) sheets of two [FeO6] octahedra (one with point group symmetry 3.. and one with point group symmetry .2.) linked along [001] through [HPO3]2 oxoanions. Each sheet is constructed from 12-membered rings of edge-sharing [FeO6] octahedra, giving rise to channels with a radius of ca 3.1 A ˚ where the K+ cations and likewise disordered water molecules (occupancy 1/4) are located. O O contacts between the water molecule and framework O atoms of 2.864 (5) A ˚ indicate hydrogen-bonding interactions of medium strength. The infrared spectrum of the compound shows vibrational bands typical for phosphite and water groups. The Mössbauer spectrum is in accordance with the presence of FeII and FeIII ions.es_ES
dc.description.sponsorshipMinisterio de Economía y Competitividad, MAT2013–42092-R // Gobierno Vasco, IT-630–13 y SAI12/82 // Universidad del País Vasco, UPV/EHU, UFI-11/15es_ES
dc.publisherInternational Union of Crystallographyes_ES
dc.subjectcrystal structure determinationes_ES
dc.subjectiron phosphitees_ES
dc.subjectMössbauer spectroscopyes_ES
dc.titleCrystal structure of K0.75[FeII 3.75FeIII 1.25(HPO3)6]- 0.5H2O, an open-framework iron phosphite with mixed-valent FeII/FeIII ionses_ES
dc.rights.holderAtribución 3.0 Españaes_ES
dc.contributor.funderMinisterio de Economía y Competitividad
dc.contributor.funderGobierno Vasco
dc.contributor.funderUniversidad del País Vasco, UPV/EHU

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