Inorganic Solid Phases

CaMg0.6Fe0.4(CO3)2 (CaMg0.6Fe0.4[CO3]2 hpII, p = 56.0 GPa) Crystal Structure

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General Information

  • Phase Label(s): CaMg0.6Fe0.4[CO3]2 hpII
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: aP80
  • Space Group: 2
  • Phase Prototype: Ca(Mg0.6Fe0.4)[CO3]2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; France, Grenoble, European Synchrotron Radiation Facility ESRF, ID09A (determination of structural parameters), X-rays, synchrotron; λ = 0.0413 nm (determination of cell and structural parameters), p = 56.0 GPa (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): carbonate
  • Interpretation Detail(s): complete structure determined; pressure dependence studied, full-matrix least-squares refinement; 161 variables, R = 0.0684; wR = 0.0724
  • Sample Detail(s): dolomite sample from France, Vizille, Vaulnaveys, Chachatier, chemical analysis; CaMg0.6Fe0.4[CO3]2, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: CaMg0.6Fe0.4[CO3]2
  • Alphabetic Formula: [CO3]2CaFe0.4Mg0.6
  • Published Formula: CaMg0.6Fe0.4(CO3)2
  • Refined Formula: C2CaFe0.40Mg0.60O6
  • Wyckoff Sequence: 2,i40
  • Z Formula Units: 8
  • Density: ρ = 4.29 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
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_1229825

  • 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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