Inorganic Solid Phases

Na0.1Ca0.65Mg0.95Cr0.05Fe0.11Al0.2Si2O6 (Na0.2Ca0.75Mg0.8Cr0.1Fe0.1Al0.1Si1.95O6) Crystal Structure

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General Information

  • Phase Label(s): Na0.2Ca0.75Mg0.8Cr0.1Fe0.1Al0.1Si1.95O6
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): omphacite
  • Pearson Symbol: mS44
  • Space Group: 15
  • Phase Prototype: Ca0.8Mg1.2Si2O6
  • Measurement Detail(s): automatic diffractometer; 30 (determination of cell parameters), X-rays, Mo Kα; λ = 0.071069 nm (determination of cell parameters), p = 1.53 GPa (determination of cell parameters)
  • Phase Class(es): –
  • Compound Class(es): silicate
  • Interpretation Detail(s): cell parameters determined and structure type assigned; pressure dependence studied
  • Sample Detail(s): clinopyroxene sample from Brazil, Rio Grande do Norte, Pico Cabugi, (Mg0.765Fe2+0.032Fe3+0.013Al0.138Ti0.008Cr0.044)(Ca0.645Na0.094Mg0.192Fe2+0.067Mn0.002)(Si0.944Al0.056)2O6, single crystal (determination of cell parameters)

Substance Summary

  • Standard Formula: Na0.1Ca0.65Mg0.95Cr0.05Fe0.11Al0.24Si1.90O6
  • Alphabetic Formula: Al0.24Ca0.65Cr0.05Fe0.11Mg0.95Na0.1O6Si1.90
  • Published Formula: Na0.1Ca0.65Mg0.95Cr0.05Fe0.11Al0.2Si2O6
  • Refined Formula: –
  • Wyckoff Sequence: –
  • Z Formula Units: 4
  • Density: ρ = 3.37 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.

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1618133

  • 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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