Inorganic Solid Phases

β'(Mg-Zr-O-N), ~2 mol.% MgO (Mg0.14Zr6.86N1.72O11.28, T = 1223 K) Crystal Structure

General Information

  • Phase Label(s): Mg0.14Zr6.86N1.72O11.28
  • Structure Class(es): fluorite family
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hR138
  • Space Group: 148
  • Phase Prototype: (Mg0.02Zr0.98)7N1.72O11.28
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; France, Grenoble, Institut Laue-Langevin ILL, D2B (determination of structural parameters), neutrons; λ = 0.1594 nm (determination of cell and structural parameters), T = 1223 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined; temperature dependence studied, Rietveld refinement, multiphase, wRP = 0.1852; RB = 0.1566
  • Sample Detail(s): sample prepared from ZrO2, MgO, chemical analysis, energy-dispersive X-ray analysis; Mg0.06Zr0.9O1.71N0.154 for multiphase sample, ~2 mol.% MgO for rhombohedral phase; amounts of fluorite-type phase, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Mg0.14Zr6.86N1.72O11.28
  • Alphabetic Formula: Mg0.14N1.72O11.28Zr6.86
  • Published Formula: β'(Mg-Zr-O-N), ~2 mol.% MgO
  • Refined Formula: Mg0.14N1.71O11.29Zr6.86
  • Wyckoff Sequence: 148,f6cba
  • Z Formula Units: 6
  • Density: ρ = 5.83 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_1214875

  • 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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