Inorganic Solid Phases

jacobsite, JBS4 (Mg0.744Zn0.017Mn0.284Fe1.907Al0.048O4) Crystal Structure

Get Access CIF Download help (pdf)

General Information

  • Phase Label(s): Mg0.744Zn0.017Mn0.284Fe1.907Al0.048O4
  • Structure Class(es): spinel family
  • Classification by Properties: –
  • Mineral Name(s): jacobsite
  • Pearson Symbol: cF56
  • Space Group: 227
  • Phase Prototype: MgAl2O4
  • Measurement Detail(s): automatic diffractometer; 24 (determination of cell parameters), automatic diffractometer; Siemens P4 (determination of structural parameters), X-rays, Mo Kα1; λ = 0.070930 nm (determination of cell parameters), X-rays, Mo Kα (determination of structural parameters), T = 296 K (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; 169 reflections; I > 2σ(I), R = 0.0299
  • Sample Detail(s): jacobsite sample from Sweden, Värmland, Jakobsberg, sample prepared from jacobsite, electron microprobe analysis; Mg0.129(4)Mn2+0.829(9)Zn0.007(2)Fe2+0.035(11)Fe3+1.970(10)Al0.030(1)O4, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Mg0.129Zn0.007Mn0.829Fe2.005Al0.030O4
  • Alphabetic Formula: Al0.030Fe2.005Mg0.129Mn0.829O4Zn0.007
  • Published Formula: jacobsite, JBS4
  • Refined Formula: Al0.03Fe2Mg0.13Mn0.83O4Zn0.01
  • Wyckoff Sequence: 227,ecb
  • Z Formula Units: 8
  • Density: ρ = 4.89 Mg·m−3
View 3D Interactive Structure

Cite this page

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_1601563

  • 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

    Download this citation

    Citation copied