Inorganic Solid Phases

Ca8(Fe3+2.7Al1.1Mg0.2)(Fe3+8.0)Si12O42[OH]14 (Ca2Mg0.1Fe2.6Al0.3Si3O10.9[OH]3.1) Crystal Structure

General Information

  • Phase Label(s): Ca2Mg0.1Fe2.6Al0.3Si3O10.9[OH]3.1
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): 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 parameters), automatic diffractometer; France, Grenoble, European Synchrotron Radiation Facility ESRF, BM16 (determination of structural parameters), X-rays, synchrotron; λ = 0.0710127(2) nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, silicate
  • Interpretation Detail(s): positions of non-H atoms determined, Rietveld refinement; 73 variables, wRP = 0.2251
  • Sample Detail(s): julgoldite sample from India, Maharashtra State, Mumbai (Bombay), electron microprobe analysis, spectroscopy; 33.58 wt.% SiO2, 1.70 wt.% Al2O3, 39.33 wt.% Fe2O3, 19.13 wt.% CaO, 0.04 wt.% Mn2O3, 0.37 wt.% MgO, 0.06 wt.% Na2O, 5.83 wt.% OH, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ca2Mg0.1Fe2.6Al0.3Si3O10.9[OH]3.1
  • Alphabetic Formula: Al0.3Ca2Fe2.6Mg0.1O10.9[OH]3.1Si3
  • Published Formula: Ca8(Fe3+2.7Al1.1Mg0.2)(Fe3+8.0)Si12O42[OH]14
  • Refined Formula: Al0.31Ca2Fe2.69H4O14Si3
  • Wyckoff Sequence: 12,j4i13f
  • Z Formula Units: 4
  • Density: ρ = 3.52 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
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_1213262

  • 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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