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Structure of Na_3NdSi_6O_(15)._2H_2O - A Layered Silicate with Paths for Possible Fast Ion Conductor

Haile, S. M. and Wuensch, B. J. and Laudise, J. and Maier, J. (1997) Structure of Na_3NdSi_6O_(15)._2H_2O - A Layered Silicate with Paths for Possible Fast Ion Conductor. Acta crystallographica. Section B, Structural science, 53 (1). pp. 7-17. ISSN 0108-7681. https://resolver.caltech.edu/CaltechAUTHORS:20131125-160513999

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Abstract

Hydrothermal investigations of the high silica region of the Na₂0-Nd₂0₃-SiO₂ system, carried out in the search for new fast-ion conductors (FIC's), yielded the compound Na₃NdSi₆O₁₅.2H₂0 (sodium neodymium silicate). Single-crystal X-ray methods provided lattice constants of a=7.385(2), b=30.831(7) and c= 7.1168 (13)Å, space group Cmm2, and 22 atoms in the asymmetric unit. With four formula units per unit cell, the calculated density is 2.68gcm⁻³. Refinement was carried out with 1113 independent structure factors to a weighted residual wR(F) of 2.63% [8.09% for wR(F²)] using anisotropic temperature factors for all atoms. The structure, based on corrugated Si₆O₁₅ layers containing four-, five-, six- and eight-membered rings, is related to that of a model previously reported for a compound assigned the composition NaNdSi₆O₁₃(OH)₂.nH₂0. Our structure differs in the placement of sodium ions and water molecules, and contains no hydroxyl groups. We believe that both studies examined the same phase.


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http://dx.doi.org/10.1107/S0108768196009950DOIArticle
http://scripts.iucr.org/cgi-bin/paper?S0108768196009950PublisherArticle
ORCID:
AuthorORCID
Haile, S. M.0000-0002-5293-6252
Alternate Title:Structure of Na3NdSi6O15.2H2O - A Layered Silicate with Paths for Possible Fast Ion Conductor, Structure of Na₃NdSi₆O₁₅.2H₂O - A Layered Silicate with Paths for Possible Fast Ion Conductor
Additional Information:© 1997 International Union of Crystallography. (Received 7 May 1996; accepted 24 July 1996). We are indebted to Dr Karl Peters of the Max-Planck-Institut fur Festkorperforschung for providing single-crystal intensity data and to Dr Peter Hohn for aid with the structure determination. Nubia Carioca, also of MPI, kindly performed TGA experiments and Mike Jercinovic, of the Massachusetts Institute of Technology, supplied the results of microprobe analyses. Figures were drawn using the ATOMS program by Shape Software. S. Haile is grateful to the AT&T Cooperative Fellowship Program, the Fulbright Foundation and the Alexander von Humboldt Foundation for providing financial support at various stages of this research.
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Funding AgencyGrant Number
AT&T Cooperative FellowshipUNSPECIFIED
Fulbright FoundationUNSPECIFIED
Alexander von Humboldt FoundationUNSPECIFIED
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Record Number:CaltechAUTHORS:20131125-160513999
Persistent URL:https://resolver.caltech.edu/CaltechAUTHORS:20131125-160513999
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ID Code:42700
Collection:CaltechAUTHORS
Deposited By: Jonathan Gross
Deposited On:26 Nov 2013 23:19
Last Modified:03 Oct 2019 06:01

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