Inorganic Solid Phases

Si17.95Al10.04Mg1.96Fe1.14Ca18.90O68[OH]10 (Ca19Mg2.08Fe1.42Al9.5[SiO4]10[Si2O7]4O[OH]9) Crystal Structure

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General Information

  • Phase Label(s): Ca19Mg2.08Fe1.42Al9.5[SiO4]10[Si2O7]4O[OH]9
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): vesuvianite
  • Pearson Symbol: tP260
  • Space Group: 85
  • Phase Prototype: Ca19.32Mg1.87Fe1.39Al9.42[SiO4]10[Si2O7]4O0.81[OH]9.19
  • Measurement Detail(s): Denmark, Roskilde, Riso National Laboratory, DR3 reactor, TAS2 (determination of structural parameters), neutrons; λ = 0.10462 nm (determination of structural parameters)
  • Phase Class(es): –
  • Compound Class(es): hydroxide, orthosilicate, disilicate, oxide
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 146 variables; 1546 reflections; F > 4σ(F), R = 0.066; wR = 0.086
  • Sample Detail(s): vesuvianite sample from Italy, Alps, Piedmont, Val d'Ala, sample prepared from vesuvianite, electron microprobe analysis; Si/Al/Mg/Fe3+/Ca ratio 17.95/10.04/1.96/1.14/18.90; 37.24 wt.% SiO2, 17.67 wt.% Al2O3, 2.72 wt.% MgO, 3.16 wt.% Fe2O3, 36.60 wt.% CaO, 2.83 wt.% H2O, twinned crystal, 0.2×0.2×0.3 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Ca18.90Mg1.96Fe1.14Al10[SiO4]10[Si2O7]4O1.14[OH]8.86
  • Alphabetic Formula: Al10Ca18.90Fe1.14Mg1.96O1.14[OH]8.86[SiO4]10[Si2O7]4
  • Published Formula: Si17.95Al10.04Mg1.96Fe1.14Ca18.90O68[OH]10
  • Refined Formula: Al9.92Ca19Fe1.16H10Mg1.92O78Si18
  • Wyckoff Sequence: 85,g29fedc6ba
  • Z Formula Units: 2
  • Density: ρ = 3.38 Mg·m−3
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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_1715785

  • 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)

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