Inorganic Solid Phases

Na1+xMgx(Al1−yGay)11−xO17, x= 0.67, y= 0.23 (Na1.67Mg0.67Al7.231Ga3.099O17) Crystal Structure

General Information

  • Phase Label(s): Na1.67Mg0.67Al7.231Ga3.099O17
  • Structure Class(es): β"-alumina
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hR108
  • Space Group: 166
  • Phase Prototype: K1.6(Mg0.3Al0.7)2Al9O17
  • Measurement Detail(s): automatic diffractometer; 25 (determination of cell parameters), automatic diffractometer; STOE 4-circle (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters), T = 298 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; 47 variables; F2 > 2σ(F2), R = 0.0284; wR = 0.0680
  • Sample Detail(s): atomic absorption spectroscopy, single crystal (determination of cell parameters), single crystal, 0.05×0.17 mm2 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na1.67Mg0.67Al7.954Ga2.376O17
  • Alphabetic Formula: Al7.954Ga2.376Mg0.67Na1.67O17
  • Published Formula: Na1+xMgx(Al1−yGay)11−xO17, x= 0.67, y= 0.23
  • Refined Formula: Al7.98Ga2.35Mg0.67Na1.58O17
  • Wyckoff Sequence: 166,h4c5ba
  • Z Formula Units: 3
  • Density: ρ = 3.75 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
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_1420536

  • 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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