Inorganic Solid Phases

Na2(H2O)2[Ti3.80Nb0.20]O4(O0.5OH0.5)2(SiO4)2(K0.69Na0.11H2O1.7) (K0.69Na2.11Ti3.80Nb0.20[SiO4]2O5[OH][H2O]3.7) Crystal Structure

General Information

  • Phase Label(s): K0.69Na2.11Ti3.80Nb0.20[SiO4]2O5[OH][H2O]3.7
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: tP82
  • Space Group: 132
  • Phase Prototype: K0.69Na2.11(Ti0.95Nb0.05)4[SiO4]2O5[OH][H2O]3.7
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Syntex P1 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, orthosilicate, oxide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 334 reflections; I > 2σ(I), R = 0.040
  • Sample Detail(s): single crystal (determination of cell parameters), single crystal, 0.030×0.035×0.063 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K0.69Na2.11Ti3.80Nb0.20[SiO4]2O5[OH][H2O]3.7
  • Alphabetic Formula: [H2O]3.7K0.69Na2.11Nb0.20O5[OH][SiO4]2Ti3.80
  • Published Formula: Na2(H2O)2[Ti3.80Nb0.20]O4(O0.5OH0.5)2(SiO4)2(K0.69Na0.11H2O1.7)
  • Refined Formula: H8.41K0.69Na2.11Nb0.20O17.70Si2Ti3.80
  • Wyckoff Sequence: 132,po5ji2gfeb
  • Z Formula Units: 2
  • Density: ρ = 2.80 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_1005260

  • 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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