Inorganic Solid Phases

Mg0.635Al1.161Si0.005Mn0.006Ti0.010Cr0.752Fe0.427Ni0.004O4 (Mg0.43Ti0.03Cr1.19Fe0.57Al0.77O4) Crystal Structure

General Information

  • Phase Label(s): Mg0.43Ti0.03Cr1.19Fe0.57Al0.77O4
  • Structure Class(es): spinel family
  • Classification by Properties:
  • Mineral Name(s): magnesiochromite
  • 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; 159 reflections, R = 0.0228; wR = 0.0484
  • Sample Detail(s): spinel group sample from Spain, Ronda massif, electron microprobe analysis; 14.6(3) wt.% MgO, 33.9(5) wt.% Al2O3, 0.16(2) wt.% SiO2, 0.45(2) wt.% TiO2, 32.5(5) wt.% Cr2O3, 0.24(6) wt.% MnO, 0.19(7) wt.% NiO, 15.3(2) wt.% FeO, 2.81 wt.% Fe2O3, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Mg0.64Ti0.01Cr0.75Fe0.44Al1.16O4
  • Alphabetic Formula: Al1.16Cr0.75Fe0.44Mg0.64O4Ti0.01
  • Published Formula: Mg0.635Al1.161Si0.005Mn0.006Ti0.010Cr0.752Fe0.427Ni0.004O4
  • Refined Formula: Al1.16Cr0.75Fe0.43Mg0.64Mn0.01Ni0O4Si0.01Ti0.01
  • Wyckoff Sequence: 227,ecb
  • Z Formula Units: 8
  • Density: ρ = 4.19 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_1224761

  • 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