Inorganic Solid Phases

armalcolite ortho (Mg0.42Ti2Cr0.06Fe0.43Al0.09O5) Crystal Structure

General Information

  • Phase Label(s): Mg0.42Ti2Cr0.06Fe0.43Al0.09O5
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): armalcolite
  • Pearson Symbol: oS32
  • Space Group: 63
  • Phase Prototype: TiFe2O5
  • Measurement Detail(s): automatic diffractometer; Picker FACS-I (determination of structural parameters), X-rays, Mo Kα (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement, R = 0.102; wR = 0.109
  • Sample Detail(s): armalcolite sample from Moon (Apollo-17 mission), sample prepared from armalcolite, electron microprobe analysis; Ti/Al/Cr/Fe/Mg/Mn ratio 2.006/0.084/0.056/0.399/0.392/0.002, single crystal (determination of structural parameters)

Substance Summary

  • Standard Formula: Mg0.42Ti2Cr0.06Fe0.43Al0.09O5
  • Alphabetic Formula: Al0.09Cr0.06Fe0.43Mg0.42O5Ti2
  • Published Formula: armalcolite ortho
  • Refined Formula: Fe0.48Mg0.48O5Ti2
  • Wyckoff Sequence: 63,f3c2
  • Z Formula Units: 4
  • Density: ρ = 3.93 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

Anisotropic

Site
β11 [nm2]
β22 [nm2]
β33 [nm2]
β12 [nm2]
β13 [nm2]
β23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1719864

  • 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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