Inorganic Solid Phases

Mg1.85Fe0.14Si0.99H0.06O4 (H0.06Mg1.85Fe0.14[SiO4]0.99O0.04) Crystal Structure

General Information

  • Phase Label(s): H0.06Mg1.85Fe0.14[SiO4]0.99O0.04
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): forsterite
  • Pearson Symbol: oP28
  • Space Group: 62
  • Phase Prototype: Mg2[SiO4]
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Japan, Tsukuba, High Energy Accelerator Research Organization (KEK), Photon Factory, BL-10A (determination of structural parameters), X-rays, synchrotron; λ = 0.07006 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthosilicate, oxide
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement; 1214 reflections; I > 3σ(I), R = 0.024; wR = 0.031
  • Sample Detail(s): forsterite sample from synthetic, electron microprobe analysis, FTIR spectroscopy; Mg1.85Fe0.14Si0.99H0.06O4, single crystal (determination of cell parameters), single crystal, 0.030×0.070×0.070 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: H0.06Mg1.85Fe0.14[SiO4]0.99O0.04
  • Alphabetic Formula: Fe0.14H0.06Mg1.85O0.04[SiO4]0.99
  • Published Formula: Mg1.85Fe0.14Si0.99H0.06O4
  • Refined Formula: Fe0.12Mg1.88O4Si0.99
  • Wyckoff Sequence: 62,dc4a
  • Z Formula Units: 4
  • Density: ρ = 3.30 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
B [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_1819084

  • 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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