Inorganic Solid Phases

Ca19.13Mg1.07Ti0.28Mn0.03Fe2+0.54Fe3+0.65Al10.56Si17.75Cl0.01O69.27[OH]8.73 (Ca19.5Mg1.34Ti0.315Fe1.473Al9.752[SiO4]10[Si2O7]4O2.4[OH]8) Crystal Structure

General Information

  • Phase Label(s): Ca19.5Mg1.34Ti0.315Fe1.473Al9.752[SiO4]10[Si2O7]4O2.4[OH]8
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): vesuvianite
  • Pearson Symbol: tP260
  • Space Group: 126
  • Phase Prototype: Ca19Mg1.7Ti0.2Mn0.1Fe1.8Al9.2[SiO4]10[Si2O7]4O[OH]9
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Nicolet R3m (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, orthosilicate, disilicate, oxide
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement
  • Sample Detail(s): vesuvianite sample from unknown, electron microprobe analysis; Ca19.13Mg1.07Ti0.28Mn0.03Fe2+0.54Fe3+0.65Al10.56Si17.75Cl0.01O69.27[OH]8.73, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ca19.13Mg1.07Ti0.28Fe1.19Al10.56Si17.75O69.27[OH]8.73
  • Alphabetic Formula: Al10.56Ca19.13Fe1.19Mg1.07O69.27[OH]8.73Si17.75Ti0.28
  • Published Formula: Ca19.13Mg1.07Ti0.28Mn0.03Fe2+0.54Fe3+0.65Al10.56Si17.75Cl0.01O69.27[OH]8.73
  • Refined Formula: Al10.56Ca19Fe1.22H8Mg1.07O78Si18Ti0.28
  • Wyckoff Sequence: 126,k14hfe3dc
  • Z Formula Units: 2
  • Density: ρ = 3.40 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_1818962

  • 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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