Inorganic Solid Phases

[Fe2+0.818Mg0.156Ca0.010Mn0.016][Fe2+0.081Mg0.767Al0.084Fe3+0.068][Si][Si0.848Al0.152]O6 (Ca0.03Mg1.1Mn0.03Fe0.8Al0.01Si2O6, p = 0.163 GPa) Crystal Structure

General Information

  • Phase Label(s): Ca0.03Mg1.1Mn0.03Fe0.8Al0.01Si2O6
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): enstatite/ferrosilite
  • Pearson Symbol: oP80
  • Space Group: 61
  • Phase Prototype: MgSiO3
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters), p = 0.163 GPa (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate
  • Interpretation Detail(s): complete structure determined; pressure dependence studied, least-squares refinement; 52 variables; 499 reflections; I > 4σ(I), R = 0.0576
  • Sample Detail(s): orthopyroxene sample from unknown, electron microprobe analysis, Mössbauer spectroscopy; (Fe2+0.818Mg0.156Ca0.010Mn0.016)(Fe2+0.081Mg0.767Al0.084Fe3+0.068)[Si](Si0.848Al0.152)O6, single crystal (determination of cell parameters), single crystal, 0.050×0.080×0.180 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Ca0.005Mg0.461Mn0.008Fe0.484Al0.118Si0.924O3
  • Alphabetic Formula: Al0.118Ca0.005Fe0.484Mg0.461Mn0.008O3Si0.924
  • Published Formula: [Fe2+0.818Mg0.156Ca0.010Mn0.016][Fe2+0.081Mg0.767Al0.084Fe3+0.068][Si][Si0.848Al0.152]O6
  • Refined Formula: Al0.12Ca0.01Fe0.48Mg0.46Mn0.01O3Si0.92
  • Wyckoff Sequence: 61,c10
  • Z Formula Units: 16
  • Density: ρ = 3.65 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_1221288

  • 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