Inorganic Solid Phases

Na(NaMg)Mg5Si8O22(OH,D)2 (Na0.92Mg3.04Si4O11[OH]0.68[OD]0.32, T = 8 K) Crystal Structure

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General Information

  • Phase Label(s): Na0.92Mg3.04Si4O11[OH]0.68[OD]0.32
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): pargasite-D
  • Pearson Symbol: mP84
  • Space Group: 11
  • Phase Prototype: NaMg3Si4O11[OH]
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; United Kingdom, Chilton-Didcot, Rutherford Appleton Laboratory, ISIS Facility, ROTAX (determination of structural parameters), neutrons, time-of-flight (determination of cell and structural parameters), T = 8 K (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): hydroxide-D, hydroxide, silicate
  • Interpretation Detail(s): complete structure determined; temperature dependence studied, Rietveld refinement; 102 variables, RP = 0.0184; wRP = 0.0180
  • Sample Detail(s): amphibole group sample from synthetic, sample prepared from glass, D2O, electron microprobe analysis, infrared spectroscopy, synchrotron-radiation; (Na0.920.08)(Na0.92Mg1.08)Mg5Si8O22[OH]1.36[OD]0.64; amounts of quartz and enstatite (5-10 wt.%), powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Na0.92Mg3.04Si4O11[OH]0.68[OD]0.32
  • Alphabetic Formula: Mg3.04Na0.92O11[OD]0.32[OH]0.68Si4
  • Published Formula: Na(NaMg)Mg5Si8O22(OH,D)2
  • Refined Formula: D0.31H0.69Mg3.03Na0.89O12Si4
  • Wyckoff Sequence: 11,f18e6
  • Z Formula Units: 4
  • Density: ρ = 2.99 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_1601192

  • 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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