Inorganic Solid Phases

H8Al9.132Ca18.867Fe1.186O78Si18Mg1.459Na0.136; Brown vesuvianite (Na0.82Ca18.18Mg1.71Ti1.11Fe1.48Al8.7[SiO4]10[Si2O7]4O1.58[OH]8.42) Crystal Structure

General Information

  • Phase Label(s): Na0.82Ca18.18Mg1.71Ti1.11Fe1.48Al8.7[SiO4]10[Si2O7]4O1.58[OH]8.42
  • 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; Nonius CAD4 (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, R = 0.0672; wR = 0.0361
  • Sample Detail(s): vesuvianite sample from Taiwan, Yuli area, electron microprobe analysis; 36.14 wt.% SiO2, 14.92 wt.% Al2O3, 3.60 wt.% FeO, 2.33 wt.% MgO, 34.74 wt.% CaO, 0.85 wt.% Na2O, 3.00 wt.% TiO2, 0.03 wt.% F, single crystal (determination of cell parameters), single crystal, 0.062×0.120×0.180 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na0.82Ca18.18Mg1.71Ti1.11Fe1.48Al8.7[SiO4]10[Si2O7]4O1.58[OH]8.42
  • Alphabetic Formula: Al8.7Ca18.18Fe1.48Mg1.71Na0.82O1.58[OH]8.42[SiO4]10[Si2O7]4Ti1.11
  • Published Formula: H8Al9.132Ca18.867Fe1.186O78Si18Mg1.459Na0.136; Brown vesuvianite
  • Refined Formula: Al8.70Ca17Fe1.47H10Mg1.71Na2O78Si18Ti1.11
  • Wyckoff Sequence: 126,k14hfe3dc
  • Z Formula Units: 2
  • Density: ρ = 3.39 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_1922354

  • 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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