Inorganic Solid Phases

β-Mg2SiO4, 9600 wt. ppm H2O (H0.5Mg1.75[SiO4]) Crystal Structure

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General Information

  • Phase Label(s): H0.5Mg1.75[SiO4]
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): wadsleyite O
  • Pearson Symbol: oI56
  • Space Group: 74
  • Phase Prototype: Mn2[GeO4]
  • Measurement Detail(s): automatic diffractometer; 8 (determination of cell parameters), automatic diffractometer; Nonius CAD4 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): orthosilicate
  • Interpretation Detail(s): positions of non-H atoms determined; composition dependence studied, full-matrix least-squares refinement on F; 499 reflections; F > 4σ(F), R = 0.021
  • Sample Detail(s): wadsleyite sample from synthetic, sample prepared from Mg2SiO4 (forsterite), H2O, SiO2, polarized FTIR spectroscopy; 0.96 wt.% H2O; amounts of Mg2.08Si1.16H3.2O6 and MgSiO3, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: H0.148Mg1.926[SiO4]
  • Alphabetic Formula: H0.148Mg1.926[SiO4]
  • Published Formula: β-Mg2SiO4, 9600 wt. ppm H2O
  • Refined Formula: H0.15Mg1.92O4Si
  • Wyckoff Sequence: 74,jh2ge3a
  • Z Formula Units: 8
  • Density: ρ = 3.43 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
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_1601095

  • 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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