Inorganic Solid Phases

Fe-bearing hydrous ringwoodite (H0.154Mg1.7Fe0.231Al0.004Si0.987O4) Crystal Structure

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General Information

  • Phase Label(s): H0.154Mg1.7Fe0.231Al0.004Si0.987O4
  • Structure Class(es): spinel family
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: cF56
  • Space Group: 227
  • Phase Prototype: MgAl2O4
  • Measurement Detail(s): automatic diffractometer; 24 (determination of cell parameters), automatic diffractometer; Siemens P4 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): silicate
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement on F2; F > 4σ(F), R = 0.018; wR = 0.016
  • Sample Detail(s): sample prepared from Fo90 olivine, En90 orthopyroxene, hematite, brucite, silica, electron microprobe analysis, Mössbauer spectroscopy; Si0.999Al0.005Cr0.001Fe3+0.026Fe2+0.231Mn0.001Mg1.633Ca0.001H0.174O4, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: H0.174Mg1.633Fe0.259Al0.005[SiO4]
  • Alphabetic Formula: Al0.005Fe0.259H0.174Mg1.633[SiO4]
  • Published Formula: Fe-bearing hydrous ringwoodite
  • Refined Formula: Fe0.26Mg1.66O4Si0.99
  • Wyckoff Sequence: 227,ecb
  • Z Formula Units: 8
  • Density: ρ = 3.66 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_1230292

  • 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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