Inorganic Solid Phases

(Mg0.648Al0.110Mn0.003Fe2+0.239)(Mg0.097Al1.337Ti0.004Cr0.544Fe2+0.013Ni0.006)O4 (Mg0.73Ti0.006Cr0.7Mn0.004Fe0.299Ni0.005Al1.25O4) Crystal Structure

General Information

  • Phase Label(s): Mg0.73Ti0.006Cr0.7Mn0.004Fe0.299Ni0.005Al1.25O4
  • Structure Class(es): spinel family
  • Classification by Properties:
  • Mineral Name(s): magnesiochromite/spinel
  • Pearson Symbol: cF56
  • Space Group: 227
  • Phase Prototype: MgAl2O4
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; KM-4 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined, least-squares refinement on F2; 168 reflections, R = 0.0170; wR = 0.0266
  • Sample Detail(s): chromite sample from Russia, Siberia, electron microprobe analysis; (Mg0.648(5)Al0.110(2)Mn0.003(1)Fe2+0.239(5))(Mg0.097(2)Al1.337(7)Ti0.004(1)Cr0.544(7)Fe2+0.013(1)Ni0.006(2))O4, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Mg0.745Ti0.004Cr0.544Mn0.003Fe0.252Ni0.006Al1.447O4
  • Alphabetic Formula: Al1.447Cr0.544Fe0.252Mg0.745Mn0.003Ni0.006O4Ti0.004
  • Published Formula: (Mg0.648Al0.110Mn0.003Fe2+0.239)(Mg0.097Al1.337Ti0.004Cr0.544Fe2+0.013Ni0.006)O4
  • Refined Formula: Al1.45Cr0.54Fe0.25Mg0.74Mn0Ni0.01O4Ti0
  • Wyckoff Sequence: 227,ecb
  • Z Formula Units: 8
  • Density: ρ = 4.00 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
U [nm2]
Type
Computed
Beq [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1223723

  • 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)

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