Inorganic Solid Phases

K0.88(OH)0.54H1.66(H2O)1.04Nb2O6 (H0.83K0.44NbO3[OH]0.27[H2O]0.57, T = 673 K) Crystal Structure

General Information

  • Phase Label(s): H0.83K0.44NbO3[OH]0.27[H2O]0.57
  • Structure Class(es): pyrochlore family
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: cF112
  • Space Group: 227
  • Phase Prototype: K0.6Bi1.2O2.5[OH]0.9
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Japan, Hyogo, Japan Synchrotron Radiation Research Institute, SPring-8, BL02B2 (determination of structural parameters), X-rays, synchrotron; λ = 0.077742 nm (determination of cell and structural parameters), T = 673 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, oxide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined; temperature dependence studied, Rietveld refinement; 17 variables, RP = 0.0290; wRP = 0.0496; RB = 0.0477
  • Sample Detail(s): sample prepared from Nb2O5, KOH, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: H0.56K0.44NbO3[H2O]0.37
  • Alphabetic Formula: H0.56[H2O]0.37K0.44NbO3
  • Published Formula: K0.88(OH)0.54H1.66(H2O)1.04Nb2O6
  • Refined Formula: H0.74K0.44NbO3.37
  • Wyckoff Sequence: 227,fedc
  • Z Formula Units: 16
  • Density: ρ = 3.66 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_1126126

  • 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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