Inorganic Solid Phases

vesuvianite (Ca19Mg1.7Ti0.2Mn0.1Fe1.8Al9.2[SiO4]10[Si2O7]4O[OH]9) Crystal Structure

General Information

  • Phase Label(s): Ca19Mg1.7Ti0.2Mn0.1Fe1.8Al9.2[SiO4]10[Si2O7]4O[OH]9
  • 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; Siemens SMART (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): complete structure determined, least-squares refinement; 309 variables; 2833 reflections; F > 2σ(F), R = 0.0311; wR = 0.0714
  • Sample Detail(s): vesuvianite sample from Canada, Quebec, Asbestos, Jeffrey mine, electron microprobe analysis; Ca17.817−18.917Na0.048−0.072K0.006−0.031Al9.882−10.535Fe0.715−0.986Mn0.154−0.191Mg0.629−1.911Cu0.004−0.022Ti0.181−0.214Cr0.008−0.015Si18OxHyCl0.025−0.077, single crystal (determination of cell parameters), single crystal, 0.03×0.08×0.15 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Ca19Mg1.9Ti0.2Mn0.2Fe0.7Al10.2[SiO4]10[Si2O7]4O[OH]9
  • Alphabetic Formula: Al10.2Ca19Fe0.7Mg1.9Mn0.2O[OH]9[SiO4]10[Si2O7]4Ti0.2
  • Published Formula: vesuvianite
  • Refined Formula: Al10Ca19Fe0.60H8Mg2Mn0.20O78Si18Ti0.20
  • Wyckoff Sequence: 85,g29fedc6ba
  • Z Formula Units: 2
  • Density: ρ = 3.38 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
U11 [nm2]
U22 [nm2]
U33 [nm2]
U12 [nm2]
U13 [nm2]
U23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1020276

  • 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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