Inorganic Solid Phases

Cs4.34Na1.90[Ti(Ti0.80Nb0.18)4Si12O34(O,OH)5]·5.37H2O (Cs2.17Na0.95Ti2.10Nb0.36Si6O17.82[OH]1.68[H2O]2.68) Crystal Structure

General Information

  • Phase Label(s): Cs2.17Na0.95Ti2.10Nb0.36Si6O17.82[OH]1.68[H2O]2.68
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: oS132
  • Space Group: 65
  • Phase Prototype: Cs2.2Na0.9Ti0.5(Ti0.8Nb0.2)2Si6O18[OH]1.5[H2O]2.7
  • 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; 129 variables; I > 2σ(I), R = 0.0285; wR = 0.0870
  • Sample Detail(s): sample prepared from zorite, CsCl, single crystal (determination of cell parameters), single crystal, 0.025×0.055×0.150 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Cs2.17Na0.95Ti2.10Nb0.36Si6O17.82[OH]1.68[H2O]2.68
  • Alphabetic Formula: Cs2.17[H2O]2.68Na0.95Nb0.36O17.82[OH]1.68Si6Ti2.10
  • Published Formula: Cs4.34Na1.90[Ti(Ti0.80Nb0.18)4Si12O34(O,OH)5]·5.37H2O
  • Refined Formula: Cs2.17H5.36Na0.96Nb0.36O22.19Si6Ti2.09
  • Wyckoff Sequence: 65,rp3n5k2j5ih2fecb
  • Z Formula Units: 2
  • Density: ρ = 2.78 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_1122184

  • 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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