Inorganic Solid Phases

NaxCo0.7Mn0.3O2, x= 0.61(4) (Na0.67Mn0.67Co0.33O2 rt) Crystal Structure

General Information

  • Phase Label(s): Na0.67Mn0.67Co0.33O2 rt
  • Structure Class(es):
  • Classification by Properties: antiferromagnet AFM, ferromagnet FM, intermediate valence, metal
  • Mineral Name(s):
  • Pearson Symbol: hP10
  • Space Group: 194
  • Phase Prototype: Na0.5CoO2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Japan, Hyogo, Japan Synchrotron Radiation Research Institute, SPring-8, BL44B2 (determination of structural parameters), X-rays, synchrotron (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined, Rietveld refinement; 46 variables
  • Sample Detail(s): sample prepared from Co0.7Mn0.3C2O4[H2O]2, Na2CO3, inductive coupled plasma method; Co/Mn ratio 0.6943/0.3057; trace amounts of unidentified phase, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Na0.61Mn0.3Co0.7O2
  • Alphabetic Formula: Co0.7Mn0.3Na0.61O2
  • Published Formula: NaxCo0.7Mn0.3O2, x= 0.61(4)
  • Refined Formula: Co0.69Mn0.31Na0.61O2
  • Wyckoff Sequence: 194,fcba
  • Z Formula Units: 2
  • Density: ρ = 4.50 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]

Anisotropic

Site
β11 [nm2]
β22 [nm2]
β33 [nm2]
β12 [nm2]
β13 [nm2]
β23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1043674

  • 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