Inorganic Solid Phases

Sauland, vesuvianite (Ca18.94Mg1.45Cu0.37Fe0.74Al10.5[SiO4]10[Si2O7]4O1.24[OH]6.43F2.33) Crystal Structure

General Information

  • Phase Label(s): Ca18.94Mg1.45Cu0.37Fe0.74Al10.5[SiO4]10[Si2O7]4O1.24[OH]6.43F2.33
  • 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; 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, fluoride, oxide
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement; 1415 reflections; F > 3σ(F), R = 0.032; wR = 0.035
  • Sample Detail(s): vesuvianite sample from Norway, Telemark, Sauland, electron microprobe analysis; 37.04 wt.% SiO2, 0.24 wt.% TiO2, 18.47 wt.% Al2O3, 0.86 wt.% FeO, 0.73 wt.% MnO, 2.00 wt.% MgO, 36.31 wt.% CaO, 0.11 wt.% Na2O, 0.01 wt.% K2O, 1.52 wt.% F, 0.01 wt.% Cl, 2.04 wt.% H2O, 0.64 wt.% (-OF,-OCl), 1.01 wt.% CuO, single crystal (determination of cell parameters), single crystal, 0.16 mm diameter (determination of structural parameters)

Substance Summary

  • Standard Formula: Ca18.94Mg1.45Cu0.37Fe0.74Al10.5[SiO4]10[Si2O7]4O1.24[OH]6.43F2.33
  • Alphabetic Formula: Al10.5Ca18.94Cu0.37F2.33Fe0.74Mg1.45O1.24[OH]6.43[SiO4]10[Si2O7]4
  • Published Formula: Sauland, vesuvianite
  • Refined Formula: Al11.46Ca19Cu0.50F5.38H4.62Mg1.04O72.62Si18
  • Wyckoff Sequence: 126,k14hfe3dc
  • Z Formula Units: 2
  • Density: ρ = 3.43 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_1922347

  • 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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