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dc.contributor.author
Colombo, Fernando
dc.contributor.author
Baggio, Ricardo Fortunato
dc.contributor.author
Kampf, Anthony R.
dc.date.available
2018-07-30T15:04:07Z
dc.date.issued
2011-06
dc.identifier.citation
Colombo, Fernando; Baggio, Ricardo Fortunato; Kampf, Anthony R.; The crystal structure of the elusive huemulite; Mineralogical Association of Canada; Canadian Mineralogist; 49; 3; 6-2011; 849-864
dc.identifier.issn
0008-4476
dc.identifier.uri
http://hdl.handle.net/11336/53388
dc.description.abstract
The crystal structures of natural huemulite from the West Sunday mine, Utah, USA, and synthetic huemulite, Na4Mg(V10O 28)·24H2O, have been solved and refined to R 1 = 0.0313 (for 3535 unique F0 > AσF reflections) and 0.0246 (for 3672 unique F0 > 4σF reflections), respectively. Huemulite is triclinic, space group P1̄, Z = 1; unit-cell dimensions of the natural sample are a 9.0453(2), b 11.3337(3),c 11.7372(8) Å, α 105.223(7), β 97.383(7), γ 100.790(7)°, V 1120.30(9) Å3, whereas those of the synthetic sample are a 9.0425(2), b 11.3303(2), c 11.7353(8) Å, α 105.222(7), β 97.377(7), γ 100.791(7)°, V 1119.47(8) Å3. The structure consists of decavanadate oxyanions (V10O28) 6- linked via an interstitial complex composed of isolated [Mg(H 2O)6]2+ octahedra and an [Na4(H 2O)14]4+ cationic group (defining an infinite zigzag chain). There are also four isolated H2O groups, two of them positionally disordered. All except four H atoms have been located, showing a network of hydrogen bonds that further links the interstitial complex and the structural unit, stabilizing the atomic arrangement. The Lewis acidity of the interstitial complex (0.18) is almost coincident with the upper limit of basicity of the structural unit (0.17), thus showing that the valencematching principle is maintained in this structure. It is probable that the X-ray pattern and the unit-cell dimensions in the original description of huemulite were measured using a mixture that included fully hydrated and partially dehydrated material. Huemulite is a member of the pascoite group, which is closely related to a synthetic family of general formula Na4M(V10O 28)·23H2O (M: Ni, Mg).The unit cell and atomic positions of huemulite are related to those of the synthetic family by the transformation matrix M = [100/011/011̄]. However, some of the symmetry restrictions (e.g., inversion centers, cell centering) present in huemulite are relaxed, with the consequence that fewer atoms are symmetry-related in the synthetic materials.
dc.format
application/pdf
dc.language.iso
eng
dc.publisher
Mineralogical Association of Canada
dc.rights
info:eu-repo/semantics/openAccess
dc.rights.uri
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.subject
Decavanadate
dc.subject
Huemulite
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Hydrogen Bonding
dc.subject
Pascoite Family
dc.subject
Valence-Matching Principle
dc.subject.classification
Meteorología y Ciencias Atmosféricas
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Ciencias de la Tierra y relacionadas con el Medio Ambiente
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CIENCIAS NATURALES Y EXACTAS
dc.title
The crystal structure of the elusive huemulite
dc.type
info:eu-repo/semantics/article
dc.type
info:ar-repo/semantics/artículo
dc.type
info:eu-repo/semantics/publishedVersion
dc.date.updated
2018-07-23T17:27:53Z
dc.identifier.eissn
1499-1276
dc.journal.volume
49
dc.journal.number
3
dc.journal.pagination
849-864
dc.journal.pais
Canadá
dc.journal.ciudad
Toronto
dc.description.fil
Fil: Colombo, Fernando. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Centro de Investigaciones en Ciencias de la Tierra. Universidad Nacional de Córdoba. Facultad de Ciencias Exactas Físicas y Naturales. Centro de Investigaciones en Ciencias de la Tierra; Argentina
dc.description.fil
Fil: Baggio, Ricardo Fortunato. Comisión Nacional de Energía Atómica. Departamento de Física; Argentina
dc.description.fil
Fil: Kampf, Anthony R.. Natural History Museum of Los Angeles County. Mineral Sciences Department; Estados Unidos
dc.journal.title
Canadian Mineralogist
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/url/https://bit.ly/2K875tq
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/https://doi.org/10.3749/canmin.49.3.849
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