Inorganic Solid Phases

Ca2(Fe2+1−xFe3+x)Fe3+2Si3O10+x(OH)4−x (x ≈ 0.5) (Ca2Fe3Si3O10.5[OH]3.5) Crystal Structure

General Information

  • Phase Label(s): Ca2Fe3Si3O10.5[OH]3.5
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): julgoldite-(Fe2+)/julgoldite-(Fe3+)
  • Pearson Symbol: mS88
  • Space Group: 12
  • Phase Prototype: Ca2(Mg0.1Mn0.15Al0.75)3Si3O11[OH]3
  • Measurement Detail(s): automatic diffractometer (determination of cell and structural parameters), X-rays, Mo Kα1; λ = 0.070926 nm (determination of cell parameters), X-rays, Mo Kα (determination of structural parameters), T = 293 K (determination of cell parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, silicate
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement, R = 0.043
  • Sample Detail(s): julgoldite sample from Sweden, Värmland, Langban, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ca2Fe3Si3O10.5[OH]3.5
  • Alphabetic Formula: Ca2Fe3O10.5[OH]3.5Si3
  • Published Formula: Ca2(Fe2+1−xFe3+x)Fe3+2Si3O10+x(OH)4−x (x ≈ 0.5)
  • Refined Formula: Ca2Fe3H3.50O14Si3
  • Wyckoff Sequence: 12,j4i13f
  • Z Formula Units: 4
  • Density: ρ = 3.56 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
B11 [nm2]
B22 [nm2]
B33 [nm2]
B12 [nm2]
B13 [nm2]
B23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1323673

  • 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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