Inorganic Solid Phases

Cs0.3H0.2NaNb0.5Ti1.5O3SiO4·2H2O (H0.4Cs0.1NaTi1.5Nb0.5[SiO4]O3[H2O]2) Crystal Structure

General Information

  • Phase Label(s): H0.4Cs0.1NaTi1.5Nb0.5[SiO4]O3[H2O]2
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: tP58
  • Space Group: 132
  • Phase Prototype: H0.4Cs0.1Na(Ti0.75Nb0.25)2[SiO4]O3[H2O]2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS D8 SMART APEX (determination of structural parameters), X-rays, Cu Kα (determination of cell and structural parameters), T = 298 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthosilicate, oxide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, Rietveld refinement, RP = 0.0854; wRP = 0.0665; RB = 0.0417
  • Sample Detail(s): sample prepared from titanium isopropoxide (TIP), tetraethylorthosilicate (TEOS), Nb2O5, NaOH, CsCl, amounts of unidentified phase, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: H0.2Cs0.3NaTi1.5Nb0.5[SiO4]O3[H2O]2
  • Alphabetic Formula: Cs0.3H0.2[H2O]2NaNb0.5O3[SiO4]Ti1.5
  • Published Formula: Cs0.3H0.2NaNb0.5Ti1.5O3SiO4·2H2O
  • Refined Formula: Cs0.33H4NaNb0.50O9SiTi1.50
  • Wyckoff Sequence: 132,po2nj2igfeb
  • Z Formula Units: 4
  • Density: ρ = 3.17 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
B [nm2]
Type
Computed
Beq [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1413063

  • 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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