Inorganic Solid Phases

Ca2Fe0.95Al0.95Mg0.05Si0.05O5 (Ca2Mg0.05Fe0.95Al0.95Si0.05O5) Crystal Structure

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General Information

  • Phase Label(s): Ca2Mg0.05Fe0.95Al0.95Si0.05O5
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: oI36
  • Space Group: 46
  • Phase Prototype: Ca2(Fe0.5Al0.5)2O5
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; France, Grenoble, Institut Laue-Langevin ILL, D2B (determination of structural parameters), neutrons; λ = 0.159221 nm (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): silicate
  • Interpretation Detail(s): complete structure determined, Rietveld refinement, wRP = 0.086; RB = 0.062
  • Sample Detail(s): sample prepared from CaCO3, Fe2O3 (hematite), Al2O3, MgO, SiO2, amounts of MgO (0.7 wt.%), powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ca2Mg0.05Fe0.95Al0.95Si0.05O5
  • Alphabetic Formula: Al0.95Ca2Fe0.95Mg0.05O5Si0.05
  • Published Formula: Ca2Fe0.95Al0.95Mg0.05Si0.05O5
  • Refined Formula: Al0.95Ca2Fe0.95Mg0.05O5Si0.05
  • Wyckoff Sequence: 46,c3b2a
  • Z Formula Units: 4
  • Density: ρ = 3.72 Mg·m−3
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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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1520582

  • 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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