Inorganic Solid Phases

(Na,K)2−x(Nb,Ti)(O,OH)Si2O6·2H2O (NaNbSi2O7[H2O]2) Crystal Structure

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General Information

  • Phase Label(s): NaNbSi2O7[H2O]2
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): nenadkevichite
  • Pearson Symbol: oP56
  • Space Group: 55
  • Phase Prototype: NaNbSi2O7[H2O]2
  • Measurement Detail(s): automatic diffractometer; Picker (determination of structural parameters), X-rays, Mo Kα; λ = 0.071069 nm (determination of structural parameters), T = 297 K (determination of structural parameters)
  • Phase Class(es): –
  • Compound Class(es): silicate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; F > 3σ(F), wR = 0.084
  • Sample Detail(s): nenadkevichite sample from Canada, Quebec, Rouville County, Mt. Saint-Hilaire, chemical analysis; Si7.91Nb2.84Ti1.17Fe0.08Na4.60K0.29Ca0.13Mn0.04O26.80[OH]1.20[H2O]7.58, single crystal, 0.15 mm diameter (determination of structural parameters)

Substance Summary

  • Standard Formula: NaNbSi2O7[H2O]2
  • Alphabetic Formula: [H2O]2NaNbO7Si2
  • Published Formula: (Na,K)2−x(Nb,Ti)(O,OH)Si2O6·2H2O
  • Refined Formula: H4Na1.07Nb0.99O9Si2
  • Wyckoff Sequence: 55,i3h3g3fe
  • Z Formula Units: 4
  • Density: ρ = 2.83 Mg·m−3
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Crystallographic Data

Cell Parameters

Published Data
Standardized Data
Unit Cell
Niggli-Reduced Cell
Space Group
a
b
c
α
β
γ
a/b
b/c
c/a
V

Atom Coordinates

Standardized

Site
Element
Wyckoff Symbol
Symmetry
X
Y
Z
Occupation
Co-ord. No.
Atomic Env.

Published

Site
Element
Wyckoff Symbol
Symmetry
X
Y
Z
Occupation

Displacement Parameters

Isotropic

Site
Published
B [nm2]
Type
Computed
Beq [nm2]

Anisotropic

Site
β11 [nm2]
β22 [nm2]
β33 [nm2]
β12 [nm2]
β13 [nm2]
β23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1900753

  • Copyright

    ©Springer & Material Phases Data System (MPDS), Switzerland & National Institute for Materials Science (NIMS), Japan, 2016

  • Chief Editor

    Pierre Villars, Material Phases Data System (MPDS), CH-6354 Vitznau, Switzerland

    villars.mpds@bluewin.ch

  • Credits

    SpringerMaterials Release 2016.

    Data generated pre-2002: © Springer & MPDS & NIMS; post-2001: © Springer & MPDS

    All Rights Reserved. Version 2016.10.

    Project Coordinator: Shuichi Iwata

    Section-Editor: Karin Cenzual (Crystal Structures)

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