Inorganic Solid Phases

K4.75Na1.82[Ti(Ti0.79Nb0.20)4Si12O34(O,OH)5.2]·10.62H2O (K2.38Na0.91Ti2.08Nb0.40Si6O18[OH]1.6[H2O]5.31) Crystal Structure

General Information

  • Phase Label(s): K2.38Na0.91Ti2.08Nb0.40Si6O18[OH]1.6[H2O]5.31
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: oS138
  • Space Group: 65
  • Phase Prototype: K2.3Na0.9Ti0.5(Ti0.8Nb0.2)2Si6O18[OH]1.6[H2O]5.3
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Nonius (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, silicate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 112 variables; I > 2σ(I), R = 0.0481; wR = 0.1224
  • Sample Detail(s): sample prepared from zorite, KCl, single crystal (determination of cell parameters), single crystal, 0.025×0.030×0.065 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K2.38Na0.91Ti2.08Nb0.40Si6O18[OH]1.6[H2O]5.31
  • Alphabetic Formula: [H2O]5.31K2.38Na0.91Nb0.40O18[OH]1.6Si6Ti2.08
  • Published Formula: K4.75Na1.82[Ti(Ti0.79Nb0.20)4Si12O34(O,OH)5.2]·10.62H2O
  • Refined Formula: H10.63K2.37Na0.91Nb0.40O24.91Si6Ti2.08
  • Wyckoff Sequence: 65,r2q2p3on3l2jig2fed
  • Z Formula Units: 2
  • Density: ρ = 2.35 Mg·m−3

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
U [nm2]
Type
Computed
Beq [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1122183

  • 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)

  • Cite this content

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