Inorganic Solid Phases

Si1.850Al0.184Fe0.396Cr0.005Ti0.012Mn0.008Mg1.490Ca0.059Na0.008K0.002O6 (Ca0.02Mg0.68Fe0.28Al0.03Si0.99O3) Crystal Structure

General Information

  • Phase Label(s): Ca0.02Mg0.68Fe0.28Al0.03Si0.99O3
  • 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; Picker FACS-I (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, full-matrix least-squares refinement; 1084 reflections, R = 0.029
  • Sample Detail(s): bronzite sample from Japan, Nagasaki Prefecture, Takasima field, electron microprobe analysis; Si1.850Al0.184Fe0.396Cr0.005Ti0.012Mn0.008Mg1.490Ca0.059Na0.008K0.002O6, single crystal (determination of cell parameters), single crystal, 0.20×0.28×0.30 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Ca0.03Mg0.73Fe0.20Al0.09Si0.93O3
  • Alphabetic Formula: Al0.09Ca0.03Fe0.20Mg0.73O3Si0.93
  • Published Formula: Si1.850Al0.184Fe0.396Cr0.005Ti0.012Mn0.008Mg1.490Ca0.059Na0.008K0.002O6
  • Refined Formula: Al0.14Ca0.04Fe0.20Mg0.75O3Si0.88
  • Wyckoff Sequence: 61,c10
  • Z Formula Units: 16
  • Density: ρ = 3.38 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
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_1215775

  • 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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