The atomic structure of deuterated boyleite ZnSO4·4D2O, ilesite MnSO4·4D2O, and bianchite ZnSO4·6D2O

Download
  1. Get@NRC: The atomic structure of deuterated boyleite ZnSO4·4D2O, ilesite MnSO4·4D2O, and bianchite ZnSO4·6D2O (Opens in a new window)
DOIResolve DOI: http://doi.org/10.2138/am.2012.4121
AuthorSearch for: ; Search for: ; Search for:
TypeArticle
Journal titleAmerican Mineralogist
ISSN0003-004X
Volume97
Issue11-12
Pages19051914; # of pages: 10
Subjectchemical bonding; crystal structure; crystallography; neutron diffraction; sulfate group
AbstractDeuterated boyleite ZnSO 44D 2O, was synthesized and the atomic structure, including D positions, was successfully refined in a combined histogram neutron diffraction refinement. The cell dimensions for boyleite are a = 5.9144(2), b = 13.5665(4), c = 7.8924(2) Å, and β = 90.668(2)° with space group P2 1/n and Z = 4. The atomic structure including D positions of the isostructural mineral ilesite, MnSO 4·4D 2O, was refined and the cell dimensions are a = 5.9753(1), b = 13.8186(3), c = 8.0461(1) Å, and β = 90.826(2)°. Deuterated bianchite ZnSO 4·6D 2O was synthesized and the atomic structure, including D positions, was successfully refined with a unit cell of a = 9.969(1), b = 7. 2441(7), c = 24.249(3) Å, and β = 98.488(5)° in space group C2/c and Z = 8. A comparison of the hydrogen bonding in M 2+SO 4·4D 2O with that in M 2+SO 4·6D 2O shows that bifurcated hydrogen bonds are common in the tetrahydrate sulfates but nonexistent in the hexahydrate structures. This is a result of the packing constraints of the rings of the sulfate and metal-containing octahedra in the tetrahydrates. In the hexahydrate sulfates there is no direct linkage between the sulfate and metal-containing octahedra and hydrogen bonds are optimized without packing constraints, and no bifurcated hydrogen bonds are observed.
Publication date
LanguageEnglish
AffiliationSecurity and Disruptive Technologies; National Research Council Canada
Peer reviewedYes
NPARC number21270022
Export citationExport as RIS
Report a correctionReport a correction
Record identifiere4b5c982-2ec3-4527-89f1-a2f9a3329c67
Record created2013-12-13
Record modified2016-05-09
Bookmark and share
  • Share this page with Facebook (Opens in a new window)
  • Share this page with Twitter (Opens in a new window)
  • Share this page with Google+ (Opens in a new window)
  • Share this page with Delicious (Opens in a new window)