Inorganic Solid Phases

KyHx−yTi2−x/4☐x/4O4·0.7H2O, 70 % K loading; K0.48H0.22Ti1.825O4·0.7H2O ([H3O]0.11K0.24Ti0.91O2[H2O]0.24) Crystal Structure

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General Information

  • Phase Label(s): [H3O]0.11K0.24Ti0.91O2[H2O]0.24
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: oI16
  • Space Group: 71
  • Phase Prototype: Cs0.32Ti0.92O2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Rigaku RAD-IIB (determination of structural parameters), X-rays, Cu Kα; λ = 0.15405 nm (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): oxide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, Rietveld refinement, RP = 0.067; wRP = 0.092; RB = 0.072
  • Sample Detail(s): sample prepared from H0.7Ti1.825O4[H2O], KCl, atomic absorption spectroscopy, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: K0.24[H3O]0.11Ti0.91O2[H2O]0.24
  • Alphabetic Formula: [H2O]0.24[H3O]0.11K0.24O2Ti0.91
  • Published Formula: KyHx−yTi2−x/4☐x/4O4·0.7H2O, 70 % K loading; K0.48H0.22Ti1.825O4·0.7H2O
  • Refined Formula: H0.70K0.24O2.26Ti0.91
  • Wyckoff Sequence: 71,ji2e
  • Z Formula Units: 4
  • Density: ρ = 3.00 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1110350

  • 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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