Inorganic Solid Phases

Ca0.03Mg1.1Mn0.03Fe0.8Al0.01Si2O6 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; Philips PW1100 (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 897 reflections; I > 3σ(I), R = 0.0178
  • Sample Detail(s): orthopyroxene group sample from meteorite Serra de Magé, electron microprobe analysis; 52.42 wt.% SiO2, 0.36 wt.% Al2O3, 24.96 wt.% FeO, 20.07 wt.% MgO, 0.80 wt.% MnO, 0.15 wt.% TiO2, 0.15 wt.% Cr2O3, 0.88 wt.% CaO; amounts of C2/c phase (augite, 11.27 wt.%), single crystal (determination of cell parameters), single crystal, 0.180×0.310×0.330 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Ca0.01Mg0.55Mn0.01Fe0.4Al0.005SiO3
  • Alphabetic Formula: Al0.005Ca0.01Fe0.4Mg0.55Mn0.01O3Si
  • Published Formula: Ca0.03Mg1.1Mn0.03Fe0.8Al0.01Si2O6
  • Refined Formula: Al0.01Ca0.02Fe0.40Mg0.56Mn0.02O3Si0.99
  • Wyckoff Sequence: 61,c10
  • Z Formula Units: 16
  • Density: ρ = 3.52 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]

Anisotropic

Site
U11 [nm2]
U22 [nm2]
U33 [nm2]
U12 [nm2]
U13 [nm2]
U23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1617459

  • 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