Inorganic Solid Phases

pyroxene VG3150 9 P r (Na0.06Ca0.9Mg0.71Ti0.01Fe0.3Al0.14Si1.88O6) Crystal Structure

General Information

  • Phase Label(s): Na0.06Ca0.9Mg0.71Ti0.01Fe0.3Al0.14Si1.88O6
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): aegirine-augite
  • Pearson Symbol: mS40
  • Space Group: 15
  • Phase Prototype: CaMgSi2O6
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Siemens AED2 (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, 508 reflections, R = 0.0229
  • Sample Detail(s): hawaiite [not IMA] sample from Antarctica, Victoria Land, West Ross Embayment, Mt. Melbourne volcano, electron microprobe analysis; (Si1.745Al0.255)(Al0.072Fe2+0.103Fe3+0.080Mg0.680Ti0.065)(Ca0.836Na0.047Mg0.041Fe0.074Mn0.002)O6, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Na0.05Ca0.84Mg0.72Ti0.07Fe0.26Al0.33Si1.75O6
  • Alphabetic Formula: Al0.33Ca0.84Fe0.26Mg0.72Na0.05O6Si1.75Ti0.07
  • Published Formula: pyroxene VG3150 9 P r
  • Refined Formula: Al0.33Ca0.84Fe0.26Mg0.72Mn0Na0.05O6Si1.75Ti0.07
  • Wyckoff Sequence: 15,f4e3
  • Z Formula Units: 4
  • Density: ρ = 3.40 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1813240

  • 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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