Inorganic Solid Phases

Mg5(SiO4)2F1.1OD0.9 (Mg5[SiO4]2[OD]0.9F1.1, p = 5.27 GPa) Crystal Structure

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General Information

  • Phase Label(s): Mg5[SiO4]2[OD]0.9F1.1
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): chondrodite-D
  • Pearson Symbol: mP34
  • Space Group: 14
  • Phase Prototype: Ca5[SiO4]2[OH]2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; United Kingdom, Chilton-Didcot, Rutherford Appleton Laboratory, ISIS Facility (determination of structural parameters), neutrons, time-of-flight (determination of cell and structural parameters), T = 293 K (determination of cell and structural parameters), p = 5.27 GPa (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): hydroxide-D, orthosilicate, fluoride
  • Interpretation Detail(s): complete structure determined; pressure dependence studied, Rietveld refinement
  • Sample Detail(s): chondrodite sample from synthetic, sample prepared from MgO, SiO2, MgF2, D2O, small amounts of Mg7[SiO4]3[OD,F]2, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Mg5[SiO4]2[OD]0.9F1.1
  • Alphabetic Formula: F1.1Mg5[OD]0.9[SiO4]2
  • Published Formula: Mg5(SiO4)2F1.1OD0.9
  • Refined Formula: D0.90F1.10Mg5O8.90Si2
  • Wyckoff Sequence: 14,e8a
  • Z Formula Units: 2
  • Density: ρ = 3.29 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1811927

  • 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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