Inorganic Solid Phases

Muslimbagh, vesuvianite (Ca19Mg2.08Fe1.42Al9.5[SiO4]10[Si2O7]4O[OH]9) Crystal Structure

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): automatic diffractometer; 25 (determination of cell parameters), automatic diffractometer; Rigaku AFC5 (determination of structural parameters), X-rays, Mo Kα; λ = 0.071069 nm (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, least-squares refinement; 3743 reflections; F > 3σ(F), R = 0.082; wR = 0.110
  • Sample Detail(s): vesuvianite sample from Pakistan, Muslimbagh, electron microprobe analysis; 36.52 wt.% SiO2, 0.05 wt.% TiO2, 16.04 wt.% Al2O3, 3.52 wt.% FeO, 0.10 wt.% MnO, 2.99 wt.% MgO, 36.90 wt.% CaO, 2.76 wt.% H2O, single crystal (determination of cell parameters), single crystal, 0.22 mm diameter (determination of structural parameters)

Substance Summary

  • Standard Formula: Ca19.29Mg2.17Fe1.5Al9.04[SiO4]10[Si2O7]4O0.54[OH]9.46
  • Alphabetic Formula: Al9.04Ca19.29Fe1.5Mg2.17O0.54[OH]9.46[SiO4]10[Si2O7]4
  • Published Formula: Muslimbagh, vesuvianite
  • Refined Formula: Al11.80Ca19Fe1.20H10O78Si18
  • 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

Anisotropic

Site
β11 [nm2]
β22 [nm2]
β33 [nm2]
β12 [nm2]
β13 [nm2]
β23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1922351

  • 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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