Inorganic Solid Phases

Ca(Fe2+6Fe3+)Ti2(Si4O12)2O2(OH)5(H2O)4 (CaTi2Fe7Si8O26[OH]5[H2O]4) Crystal Structure

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General Information

  • Phase Label(s): CaTi2Fe7Si8O26[OH]5[H2O]4
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): sveinbergeite
  • Pearson Symbol: aP55
  • Space Group: 2
  • Phase Prototype: CaTi2Fe7Si8O26[OH]5[H2O]4
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS SMART APEX (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): hydroxide, silicate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement on F2; 171 variables; 2432 reflections, R = 0.2295; wR = 0.4397
  • Sample Detail(s): sveinbergeite sample from Norway, Larvik, electron microprobe analysis; (Ca0.95Na0.12K0.14)(Fe2+5.65Fe3+0.93Mn0.25Mg0.18)(Ti1.86Nb0.06Zr0.05Fe3+0.03)(Si7.91Al0.09)O34.61H12.34F0.17, single crystal (determination of cell parameters), single crystal, 0.010×0.150×0.275 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: CaTi2Fe7Si8O26[OH]5[H2O]4
  • Alphabetic Formula: CaFe7[H2O]4O26[OH]5Si8Ti2
  • Published Formula: Ca(Fe2+6Fe3+)Ti2(Si4O12)2O2(OH)5(H2O)4
  • Refined Formula: Al0.08Ca0.95F0.17Fe6.61H12.34K0.14Mg0.17Mn0.25Na0.12Nb0.06O34.62Si7.92Ti1.86Zr0.05
  • Wyckoff Sequence: 2,i27a
  • Z Formula Units: 1
  • Density: ρ = 3.15 Mg·m−3
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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]

Powder Pattern

published defraction line
d [Å]
computed diffraction line for Cu Kα
d [nm]
intensity
I [1]
h [1]
k [1]
l [1]
Radiation
Remark

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1226606

  • 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)

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