Inorganic Solid Phases

Na0.58(2)Nd0.36(1)Mg0.67Al10.33O17 (Na0.58Mg0.67Nd0.36Al10.33O17) Crystal Structure

General Information

  • Phase Label(s): Na0.58Mg0.67Nd0.36Al10.33O17
  • Structure Class(es): β"-alumina
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hR120
  • Space Group: 166
  • Phase Prototype: Na0.58(Mg0.33Al0.67)2Nd0.36Al9O17
  • Measurement Detail(s): automatic diffractometer; 18 (determination of cell parameters), automatic diffractometer; STOE 4-circle (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 295 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined; anharmonic displacement parameters determined, full-matrix least-squares refinement on F2; 67 variables; 1880 reflections; I > 2σ(I), R = 0.0474; wR = 0.0538
  • Sample Detail(s): sample prepared from Na+ β"-alumina, single crystal (determination of cell parameters), single crystal, 0.08×0.18×0.18 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na0.58Mg0.67Nd0.36Al10.33O17
  • Alphabetic Formula: Al10.33Mg0.67Na0.58Nd0.36O17
  • Published Formula: Na0.58(2)Nd0.36(1)Mg0.67Al10.33O17
  • Refined Formula: Al10.33Mg0.67Na0.58Nd0.34O17
  • Wyckoff Sequence: 166,h4dc6a
  • Z Formula Units: 3
  • Density: ρ = 3.44 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_1002243

  • 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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