Inorganic Solid Phases

NaxMn2/3Co1/6Ni1/6O2 (Na0.80Mn0.33Co0.34Ni0.33O2) Crystal Structure

General Information

  • Phase Label(s): Na0.80Mn0.33Co0.34Ni0.33O2
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hR12
  • Space Group: 160
  • Phase Prototype: Na0.55TiS2
  • Measurement Detail(s): automatic diffractometer; Japan, Hyogo, Japan Synchrotron Radiation Research Institute, SPring-8, BL19B2 (determination of structural parameters), X-rays, synchrotron; λ = 0.0700035 nm (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined, Rietveld refinement, multiphase, R = 0.132; wRP = 0.0795; RB = 0.0229
  • Sample Detail(s): sample prepared from Na2CO3, Mn3O4, (Mn0.333Co0.33Ni0.33)[OH]2, inductive coupled plasma method; Na/Mn/Co/Ni ratio 0.78/0.65/0.18/0.17; amounts of Mo (6 wt.%), powder (determination of structural parameters)

Substance Summary

  • Standard Formula: Na0.58Mn0.67Co0.17Ni0.17O2
  • Alphabetic Formula: Co0.17Mn0.67Na0.58Ni0.17O2
  • Published Formula: NaxMn2/3Co1/6Ni1/6O2
  • Refined Formula: Co0.17Mn0.66Na0.58Ni0.17O2
  • Wyckoff Sequence: 160,a4
  • Z Formula Units: 3
  • Density: ρ = 4.28 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_1531052

  • 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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