Inorganic Solid Phases

NaNaMgMg5Si8O22(OH)2; Na0.81(Na0.81Mg1.19)Mg5Si8O22(OH)2 (Na1.6Mg6.2Si8O22[OH]2 ht, T = 543 K) Crystal Structure

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General Information

  • Phase Label(s): Na1.6Mg6.2Si8O22[OH]2 ht
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: mS84
  • Space Group: 12
  • Phase Prototype: K0.3Na1.3Ca1.4Mg4.5Fe0.5(Al0.05Si0.95)8O22([OH]0.4F0.6)2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Philips PW1100 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters), T = 543 K (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): hydroxide, silicate
  • Interpretation Detail(s): complete structure determined; temperature dependence studied, full-matrix least-squares refinement on F; 491 reflections; I > 2σ(I), R = 0.043
  • Sample Detail(s): amphibole sample from synthetic, chemical analysis; Na0.81(Na0.81Mg1.19)Mg5Si8O22[OH]2, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Na1.6Mg6.2Si8O22[OH]2
  • Alphabetic Formula: Mg6.2Na1.6O22[OH]2Si8
  • Published Formula: NaNaMgMg5Si8O22(OH)2; Na0.81(Na0.81Mg1.19)Mg5Si8O22(OH)2
  • Refined Formula: H2Mg6.19Na1.62O24Si8
  • Wyckoff Sequence: 12,j7i3h2gba
  • Z Formula Units: 2
  • Density: ρ = 2.92 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
B [nm2]
Type
Computed
Beq [nm2]

Anisotropic

Site
β11 [nm2]
β22 [nm2]
β33 [nm2]
β12 [nm2]
β13 [nm2]
β23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1820950

  • 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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