Inorganic Solid Phases

Ca1.03Fe2+1.88Fe3+0.97Mg0.03Al0.04Mn0.08Si2O9H (CaMg0.02Mn0.1Fe2.79Al0.09[Si2O7]O[OH]) Crystal Structure

General Information

  • Phase Label(s): CaMg0.02Mn0.1Fe2.79Al0.09[Si2O7]O[OH]
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): ilvaite M
  • Pearson Symbol: mP60
  • Space Group: 14
  • Phase Prototype: CaFe3[Si2O7]O[OH]
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Philips PW1100 (determination of structural parameters), X-rays, Mo Kα (determination of cell parameters), X-rays, Mo Kα; λ = 0.07107 nm (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, disilicate, oxide
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; 1739 reflections; I > 5σ(I), R = 0.0178; wR = 0.026
  • Sample Detail(s): ilvaite sample from Italy, Elba Island, Rio Marina, electron microprobe analysis; 29.34 wt.% SiO2, 0.50 wt.% Al2O3, 18.39 wt.% Fe2O3, 33.11 wt.% FeO, 0.29 wt.% MgO, 1.31 wt.% MnO, 13.97 wt.% CaO, 2.20 wt.% H2O, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: CaMg0.03Mn0.08Fe2.85Al0.04[Si2O7]O[OH]
  • Alphabetic Formula: Al0.04CaFe2.85Mg0.03Mn0.08O[OH][Si2O7]
  • Published Formula: Ca1.03Fe2+1.88Fe3+0.97Mg0.03Al0.04Mn0.08Si2O9H
  • Refined Formula: Al0.03CaFe2.86HMg0.03Mn0.08O9Si2
  • Wyckoff Sequence: 14,e15
  • Z Formula Units: 4
  • Density: ρ = 4.03 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_1904427

  • 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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