Affiliation
Univ Arizona, Dept GeosciUniv Arizona, Lunar & Planetary Lab
Issue Date
2016-09
Metadata
Show full item recordPublisher
INT UNION CRYSTALLOGRAPHYCitation
Kobsch, A., Downs, R. T. & Domanik, K. J. (2016). Acta Cryst. E72, 1280-1284.Rights
This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.Collection Information
This item from the UA Faculty Publications collection is made available by the University of Arizona with support from the University of Arizona Libraries. If you have questions, please contact us at repository@u.library.arizona.edu.Abstract
The crystal structure of metarossite, ideally CaV2O6 center dot 2H(2)O [chemical name: calcium divanadium(V) hexaoxide dihydrate], was first determined using precession photographs, with fixed isotropic displacement parameters and without locating the positions of the H atoms, leading to a reliability factor R = 0.11 [Kelsey & Barnes (1960). Can. Mineral. 6, 448- 466]. This communication reports a structure redetermination of this mineral on the basis of single- crystal X- ray diffraction data of a natural sample from the Blue Cap mine, San Juan County, Utah, USA (R1 = 0.036). Our study not only confirms the structural topology reported in the previous study, but also makes possible the refinement of all non- H atoms with anisotropic displacement parameters and all H atoms located. The metarossite structure is characterized by chains of edge- sharing [CaO8] polyhedra parallel to [100] that are themselves connected by chains of alternating [VO5] trigonal bipyramids parallel to [010]. The two H2O molecules are bonded to Ca. Analysis of the displacement parameters show that the [VO5] chains librate around [010]. In addition, we measured the Raman spectrum of metarossite and compared it with IR and Raman data previously reported. Moreover, heating of metarossite led to a loss of water, which results in a transformation to the brannerite- type structure, CaV2O6, implying a possible dehydration pathway for the compounds M2+V2O6 center dot xH(2)O, with M = Cu, Cd, Mg or Mn, and x = 2 or 4.ISSN
2056-9890Version
Final published versionAdditional Links
http://scripts.iucr.org/cgi-bin/paper?wm5311ae974a485f413a2113503eed53cd6c53
10.1107/S2056989016012433