Inorganic Solid Phases

(Fe7.82Mn0.114Si0.067)(Fe4.42Fe5.245Ti4.726Al0.706Mg0.4Cr0.31V0.155Ca0.04)O32 (Ca0.005Mg0.05Ti0.591V0.019Cr0.039Mn0.014Fe2.186Al0.088Si0.008O4) Crystal Structure

General Information

  • Phase Label(s): Ca0.005Mg0.05Ti0.591V0.019Cr0.039Mn0.014Fe2.186Al0.088Si0.008O4
  • Structure Class(es): spinel family
  • Classification by Properties:
  • Mineral Name(s): magnetite/ulvöspinel
  • Pearson Symbol: cF56
  • Space Group: 227
  • Phase Prototype: Fe3O4
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Picker 4-circle (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 114 reflections, R = 0.037
  • Sample Detail(s): titanomagnetite sample from U.S.A. Idaho, Snake River plain, electron microprobe analysis; (Fe2+7.82Mn2+0.114Si0.067)(Fe2+4.42Fe3+5.245Ti4.726Al0.706Mg0.4Cr3+0.31V3+0.155Ca0.04)O32, single crystal (determination of cell parameters), single crystal, 0.059×0.067×0.095 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Ca0.005Mg0.05Ti0.591V0.019Cr0.039Mn0.014Fe2.186Al0.088Si0.008O4
  • Alphabetic Formula: Al0.088Ca0.005Cr0.039Fe2.186Mg0.05Mn0.014O4Si0.008Ti0.591V0.019
  • Published Formula: (Fe7.82Mn0.114Si0.067)(Fe4.42Fe5.245Ti4.726Al0.706Mg0.4Cr0.31V0.155Ca0.04)O32
  • Refined Formula: Al0.09Ca0.01Cr0.04Fe2.19Mg0.05Mn0.01O4Si0.01Ti0.59V0.02
  • Wyckoff Sequence: 227,ecb
  • Z Formula Units: 8
  • Density: ρ = 4.98 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_1014176

  • 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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