Inorganic Solid Phases

Chichibu, 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; 1873 reflections; F > 3σ(F), R = 0.060; wR = 0.067
  • Sample Detail(s): vesuvianite sample from Japan, Saitama Prefecture, Chichibu mine, electron microprobe analysis; 36.74 wt.% SiO2, 0.35 wt.% TiO2, 17.17 wt.% Al2O3, 2.88 wt.% FeO, 0.02 wt.% MnO, 3.45 wt.% MgO, 36.85 wt.% CaO, 0.01 wt.% Na2O, 0.05 wt.% F, 0.03 wt.% Cl, 2.78 wt.% H2O, 0.03 wt.% OH, single crystal (determination of cell parameters), single crystal, 0.23 mm diameter (determination of structural parameters)

Substance Summary

  • Standard Formula: Ca18.92Mg2.47Fe1.3Al9.31[SiO4]10[Si2O7]4O0.61[OH]9.39
  • Alphabetic Formula: Al9.31Ca18.92Fe1.3Mg2.47O0.61[OH]9.39[SiO4]10[Si2O7]4
  • Published Formula: Chichibu, vesuvianite
  • Refined Formula: Al12.52Ca19Fe0.48H10O78Si18
  • Wyckoff Sequence: 126,k14hfe3dc
  • Z Formula Units: 2
  • Density: ρ = 3.37 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_1922348

  • 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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