Inorganic Solid Phases

(Ca0.944Fe2+0.042Mg0.010Mn0.004)(Mg0.469Fe2+0.317Fe3+0.035Al0.125Cr0.010Ti0.044)(Si1.742Al0.258)O6 (Ca0.569Mg0.917Ti0.073Cr0.003Mn0.017Fe0.363Al0.266Si1.792O6) Crystal Structure

General Information

  • Phase Label(s): Ca0.569Mg0.917Ti0.073Cr0.003Mn0.017Fe0.363Al0.266Si1.792O6
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mS40
  • Space Group: 15
  • Phase Prototype: CaMgSi2O6
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS P4 (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; 648 reflections; F > 4σ(F), R = 0.0192; wR = 0.0568
  • Sample Detail(s): sample from meteorite D'Orbigny, electron microprobe analysis, Mössbauer spectroscopy; (Ca0.944Fe2+0.042Mg0.010Mn0.004)(Mg0.469Fe2+0.317Fe3+0.035Al0.125Cr0.010Ti0.044)(Si1.742Al0.258)O6, single crystal (determination of cell parameters), single crystal, 0.080×0.150×0.200 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Ca0.944Mg0.479Ti0.044Cr0.010Mn0.004Fe0.394Al0.383Si1.742O6
  • Alphabetic Formula: Al0.383Ca0.944Cr0.010Fe0.394Mg0.479Mn0.004O6Si1.742Ti0.044
  • Published Formula: (Ca0.944Fe2+0.042Mg0.010Mn0.004)(Mg0.469Fe2+0.317Fe3+0.035Al0.125Cr0.010Ti0.044)(Si1.742Al0.258)O6
  • Refined Formula: Al0.38Ca0.94Cr0.01Fe0.39Mg0.48Mn0O6Si1.74Ti0.04
  • Wyckoff Sequence: 15,f4e3
  • Z Formula Units: 4
  • Density: ρ = 3.45 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_1223904

  • 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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