Inorganic Solid Phases

NiMn2O4+d, d= 0.20(5); (Ni2+0.0965Mn2+0.865)[Ni2+0.865Mn3+0.265Mn4+0.865]O4 (Mn2NiO4 cub) Crystal Structure

General Information

  • Phase Label(s): Mn2NiO4 cub
  • Structure Class(es): spinel family
  • Classification by Properties: ferrimagnet FiM, intermediate valence, metal, nonmetal, semiconductor, superion
  • Mineral Name(s):
  • Pearson Symbol: cF56
  • Space Group: 227
  • Phase Prototype: MgAl2O4
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; PANalytical X'Pert PRO MPD Alpha-1 (determination of structural parameters), X-rays, Cu Kα1; λ = 0.15406 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined, Rietveld refinement, multiphase, RP = 0.0375; wRP = 0.0512; RB = 0.0175
  • Sample Detail(s): sample prepared from Ba[MnO4]2, NiSO4, energy-dispersive X-ray analysis, thermogravimetry; Ni/Mn ratio 1/1.99; oxygen coefficient 4.20(5); amounts of NiO (2.90(6) wt.%), powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Mn1.90Ni0.95O4
  • Alphabetic Formula: Mn1.90Ni0.95O4
  • Published Formula: NiMn2O4+d, d= 0.20(5); (Ni2+0.0965Mn2+0.865)[Ni2+0.865Mn3+0.265Mn4+0.865]O4
  • Refined Formula: Mn2Ni0.96O4
  • Wyckoff Sequence: 227,ecb
  • Z Formula Units: 8
  • Density: ρ = 5.06 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_1126663

  • 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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