Inorganic Solid Phases

β-Mg2SiO4 with 2.8 wt.% H2O (Mg2[SiO4][H2O]0.13) Crystal Structure

General Information

  • Phase Label(s): Mg2[SiO4][H2O]0.13
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mS56
  • Space Group: 12
  • Phase Prototype: Mg2[SiO4][H2O]0.13
  • Measurement Detail(s): automatic diffractometer; 90 (determination of cell parameters), automatic diffractometer; Bruker AXS P4 APEX II (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 293(2) K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthosilicate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined; pressure dependence studied, least-squares refinement; 78 variables; 1975 reflections, R = 0.0447; wR = 0.0983
  • Sample Detail(s): wadsleyite sample from synthetic, sample prepared from forsterite, brucite, quartz, single crystal (determination of cell parameters), single crystal, 0.070×0.100×0.120 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: H0.42Mg1.79[SiO4]
  • Alphabetic Formula: H0.42Mg1.79[SiO4]
  • Published Formula: β-Mg2SiO4 with 2.8 wt.% H2O
  • Refined Formula: H0.42Mg1.79O4Si0.98
  • Wyckoff Sequence: 12,j4i3hge
  • Z Formula Units: 8
  • Density: ρ = 3.34 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_1225032

  • 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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