Inorganic Solid Phases

(Mn0.5Ca0.4Na0.1)2(Fe,Mn)4[Mg0.6(Fe, Mn)0.4][Si7O21]; (Mn,Ca)2(Fe,Mn)4(Mg,Fe,Mn)[Si7O21] (Na0.2Ca0.8Mg0.6Mn1.22Fe4.18Si7O21) Crystal Structure

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General Information

  • Phase Label(s): Na0.2Ca0.8Mg0.6Mn1.22Fe4.18Si7O21
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): pyroxferroite
  • Pearson Symbol: aP70
  • Space Group: 2
  • Phase Prototype: Na0.2Ca0.8Mg0.6Mn0.4(Mn0.16Fe0.84)5Si7O21
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS SMART APEX II (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, full-matrix least-squares refinement on F; 2568 reflections; I > 2σ(I), R = 0.0422; wR = 0.0851
  • Sample Detail(s): pyroxferroite sample from Germany, Rhineland-Palatinate, Eifel, Mayen, Bellberg volcano, energy-dispersive X-ray analysis; (Fe4.20Mn1.22Ca0.74Mg0.58Na0.21Al0.06Cr0.06)7.06[Si6.98O21], single crystal (determination of cell parameters), single crystal, 0.09×0.10×0.12 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na0.2Ca0.8Mg0.6Mn1.22Fe4.18Si7O21
  • Alphabetic Formula: Ca0.8Fe4.18Mg0.6Mn1.22Na0.2O21Si7
  • Published Formula: (Mn0.5Ca0.4Na0.1)2(Fe,Mn)4[Mg0.6(Fe, Mn)0.4][Si7O21]; (Mn,Ca)2(Fe,Mn)4(Mg,Fe,Mn)[Si7O21]
  • Refined Formula: Ca0.80Fe4.18Mg0.60Mn1.22Na0.20O21Si7
  • Wyckoff Sequence: 2,i35
  • Z Formula Units: 2
  • 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
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_1835114

  • 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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