Inorganic Solid Phases

Ca19(Mn,Fe2+)(F,OH)2(Mg,Cu,Fe2+,Mn,Al,Fe3+,Ti)8Al4(OH,F,O)8(SiO4)10(Si2O7)4 (Ca19Mg1.5Cu0.5Al11[SiO4]10[Si2O7]4O[OH]4F5) Crystal Structure

General Information

  • Phase Label(s): Ca19Mg1.5Cu0.5Al11[SiO4]10[Si2O7]4O[OH]4F5
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • 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; 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): complete structure determined, least-squares refinement; 1414 reflections; F > 3σ(F), R = 0.031; wR = 0.035
  • Sample Detail(s): vesuvianite sample from Norway, Sauland, electron microprobe analysis; Si18.02Ti0.02Al11.04Fe0.08Mn0.07Mg1.30Ca18.98Na0.13Cu0.37F2.44Ox, single crystal (determination of cell parameters), single crystal, 0.16 mm diameter (determination of structural parameters)

Substance Summary

  • Standard Formula: Ca19Mg1.5Cu0.5Al11[SiO4]10[Si2O7]4O[OH]4F5
  • Alphabetic Formula: Al11Ca19Cu0.5F5Mg1.5O[OH]4[SiO4]10[Si2O7]4
  • Published Formula: Ca19(Mn,Fe2+)(F,OH)2(Mg,Cu,Fe2+,Mn,Al,Fe3+,Ti)8Al4(OH,F,O)8(SiO4)10(Si2O7)4
  • Refined Formula: Al10.88Ca19Cu0.52F5.40H4.60Mg1.60O72.60Si18
  • 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

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1616846

  • 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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