Inorganic Solid Phases

Mg1.71Fe0.177Al0.01Si0.965H0.332O4 (H0.33Mg1.71Fe0.18Al0.01Si0.96O4) Crystal Structure

General Information

  • Phase Label(s): H0.33Mg1.71Fe0.18Al0.01Si0.96O4
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): wadsleyite
  • Pearson Symbol: oI140
  • Space Group: 74
  • Phase Prototype: Ni1.5AlSi0.5O4
  • Measurement Detail(s): automatic diffractometer; 16 (determination of cell parameters), automatic diffractometer; Siemens (determination of structural parameters), X-rays (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 1337 reflections; I > 4σ(I), R = 0.046
  • Sample Detail(s): wadsleyite sample from synthetic, sample prepared from KLB-1 peridotite, brucite, wüstite, electron microprobe analysis, secondary ion mass spectrometry; Si0.964Al0.012Cr0.004Fe0.177Mg1.707H0.326O4; amounts of garnet and stishovite, single crystal (determination of cell parameters), single crystal, 0.08×0.08×0.16 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: H0.31Mg1.71Fe0.18Al0.01Si0.97O4
  • Alphabetic Formula: Al0.01Fe0.18H0.31Mg1.71O4Si0.97
  • Published Formula: Mg1.71Fe0.177Al0.01Si0.965H0.332O4
  • Refined Formula: Fe0.15Mg1.39O4Si0.88
  • Wyckoff Sequence: 74,j2h9g3fe3
  • Z Formula Units: 20
  • Density: ρ = 3.51 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]

Anisotropic

Site
U11 [nm2]
U22 [nm2]
U33 [nm2]
U12 [nm2]
U13 [nm2]
U23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1601478

  • 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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