Inorganic Solid Phases

(Mg12.855Fe4.145)Si20O54(OH)6 (Mg12.855Fe4.145Si20O54[OH]6) Crystal Structure

General Information

  • Phase Label(s): Mg12.855Fe4.145Si20O54[OH]6
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): chesterite
  • Pearson Symbol: oS388
  • Space Group: 36
  • Phase Prototype: (Mg0.75Fe0.25)17Si20O54[OH]6
  • Measurement Detail(s): automatic diffractometer; Picker FACS-I (determination of structural parameters), X-rays, Mo Kα (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, silicate
  • Interpretation Detail(s): positions of non-H atoms determined; composition dependence studied, full-matrix least-squares refinement; 2633 reflections; I > 2σ(I), R = 0.091; wR = 0.059
  • Sample Detail(s): chesterite sample from U.S.A. Massachusetts, Chester County, Vermont, single crystal, 0.06×0.10×0.35 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Mg12.855Fe4.145Si20O54[OH]6
  • Alphabetic Formula: Fe4.145Mg12.855O54[OH]6Si20
  • Published Formula: (Mg12.855Fe4.145)Si20O54(OH)6
  • Refined Formula: Fe4.15H6Mg12.85O60Si20
  • Wyckoff Sequence: 36,b46a5
  • Z Formula Units: 4
  • Density: ρ = 3.08 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_2060528

  • 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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