Inorganic Solid Phases

P2 phase in Na0.76Mn0.5Ni0.3Fe0.1Mg0.1O2 (Na0.3Mg0.1Mn0.5Fe0.1Ni0.3O2) Crystal Structure

General Information

  • Phase Label(s): Na0.3Mg0.1Mn0.5Fe0.1Ni0.3O2
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hP10
  • Space Group: 194
  • Phase Prototype: Na0.5CoO2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS D8 ADVANCE (determination of structural parameters), X-rays, Cu Kα; λ = 0.154 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined, Rietveld refinement, multiphase, RP = 0.0500; wRP = 0.0657; RB = 0.03037
  • Sample Detail(s): sample prepared from Na2[CO3][H2O], Mn(CH3COO)2[H2O]4, Ni(CH3COO)2[H2O]4, Fe(CH3COO)2, Mg(CH3COO)2[H2O]4, inductive coupled plasma method; Na0.72(1)Mg0.09(1)Mn0.51(1)Fe0.08(1)Ni0.31(1)O2; amounts of O3-phase (49 wt.%), P3-phase (22 wt.%) and Mg1−xNixO (10 wt.%), powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Na0.3Mg0.1Mn0.5Fe0.1Ni0.3O2
  • Alphabetic Formula: Fe0.1Mg0.1Mn0.5Na0.3Ni0.3O2
  • Published Formula: P2 phase in Na0.76Mn0.5Ni0.3Fe0.1Mg0.1O2
  • Refined Formula: Fe0.10Mg0.10Mn0.50Na0.31Ni0.30O2
  • Wyckoff Sequence: 194,fcba
  • Z Formula Units: 2
  • Density: ρ = 3.78 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

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1607552

  • 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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