Inorganic Solid Phases

20 mol.% Al-substituted γ-NiOOH (K0.33Ni0.8Al0.2[OH]2.53[H2O]0.23) Crystal Structure

General Information

  • Phase Label(s): K0.33Ni0.8Al0.2[OH]2.53[H2O]0.23
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hR39
  • Space Group: 166
  • Phase Prototype: K0.33(Ni0.8Al0.2)[OH]2.53[H2O]0.23
  • Measurement Detail(s): automatic diffractometer; Japan, Hyogo, Japan Synchrotron Radiation Research Institute, SPring-8, BL19B2 (determination of structural parameters), X-rays, synchrotron; λ = 0.075 nm (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, Rietveld refinement, wRP = 0.0573
  • Sample Detail(s): sample prepared from Ni[NO3]2, Al[NO3]3, NH3, NaOH, inductive coupled plasma method; Al and Ni content analyzed; amounts of fault γ-NiOOH (19.1 wt.%), powder (determination of structural parameters)

Substance Summary

  • Standard Formula: K0.58Ni0.8Al0.2O[OH]1.58[H2O]0.35
  • Alphabetic Formula: Al0.2[H2O]0.35K0.58Ni0.8O[OH]1.58
  • Published Formula: 20 mol.% Al-substituted γ-NiOOH
  • Refined Formula: Al0.20H2.28K0.57Ni0.90O2.93
  • Wyckoff Sequence: 166,hc3a
  • Z Formula Units: 3
  • Density: ρ = 4.08 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_1717206

  • 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

    Citation copied