Inorganic Solid Phases

Sr0.87[Ti4O1.74(OH)2.26(SiO4)3]·4.36H2O (Sr0.87Ti4[SiO4]3O1.74[OH]2.26[H2O]4.36) Crystal Structure

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General Information

  • Phase Label(s): Sr0.87Ti4[SiO4]3O1.74[OH]2.26[H2O]4.36
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: cP49
  • Space Group: 215
  • Phase Prototype: Sr0.87Ti4[SiO4]3O1.74[OH]2.26[H2O]4.36
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; STOE IPDS II (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): hydroxide, orthosilicate, oxide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; F > 4σ(F), R = 0.1175; wR = 0.2240
  • Sample Detail(s): sample prepared from ivanyukite-Na-T, SrCl2, electron microprobe analysis; (Sr0.81Ba0.07Ca0.04K0.03)[(Ti3.74Nb0.19Fe0.03)O1.83[OH]2.17](Si2.99Al0.01)O12[H2O]7, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Sr0.87Ti4[SiO4]3O1.74[OH]2.26[H2O]4.36
  • Alphabetic Formula: [H2O]4.36O1.74[OH]2.26[SiO4]3Sr0.87Ti4
  • Published Formula: Sr0.87[Ti4O1.74(OH)2.26(SiO4)3]·4.36H2O
  • Refined Formula: H11.30O20.52Si3Sr0.87Ti4
  • Wyckoff Sequence: 215,i2ge4d
  • Z Formula Units: 1
  • Density: ρ = 2.38 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]

Anisotropic

Site
U11 [nm2]
U22 [nm2]
U33 [nm2]
U12 [nm2]
U13 [nm2]
U23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1633660

  • 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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