Inorganic Solid Phases

vesuvianite, V40 (Ca18.7Mg2.2Ti0.3Mn0.1Fe1.7Al9.3[SiO4]10[Si2O7]4O0.5[OH]7.3F2.2) Crystal Structure

General Information

  • Phase Label(s): Ca18.7Mg2.2Ti0.3Mn0.1Fe1.7Al9.3[SiO4]10[Si2O7]4O0.5[OH]7.3F2.2
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): vesuvianite
  • Pearson Symbol: tP276
  • Space Group: 126
  • Phase Prototype: Ca18.7Mg2.2Ti0.3Mn0.1Fe1.7Al9.3[SiO4]10[Si2O7]4O0.5[OH]7.3F2.2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Nicolet R3m (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, orthosilicate, disilicate, fluoride, oxide
  • Interpretation Detail(s): positions of non-H and part of H atoms determined, least-squares refinement; 1969 reflections, R = 0.031; wR = 0.027
  • Sample Detail(s): vesuvianite sample from Italy, Campania, Vesuvius area, Monte Somma, electron microprobe analysis; Si18.00Al9.26Ti4+0.34Mg2.21Mn2+0.12Fe2+1.71Ca18.66Na0.07Ln3+0.03F2.22Cl0.06(OH)8.29O67.43, no Fe3+ detected, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ca18.7Mg2.2Ti0.3Mn0.1Fe1.7Al9.3[SiO4]10[Si2O7]4O0.5[OH]7.3F2.2
  • Alphabetic Formula: Al9.3Ca18.7F2.2Fe1.7Mg2.2Mn0.1O0.5[OH]7.3[SiO4]10[Si2O7]4Ti0.3
  • Published Formula: vesuvianite, V40
  • Refined Formula: Al9.28Ca18.52F1.60Fe1.66H7.40Mg2.24O76.40Si18Ti0.32
  • Wyckoff Sequence: 126,k14h2fe5dc
  • 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_1821728

  • 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

    Citation copied