Inorganic Solid Phases

NaSr4Si12Ti5O38(OH)·12H2O (Na0.5Sr2Ti2.5Si6O19[OH]0.5[H2O]6) Crystal Structure

General Information

  • Phase Label(s): Na0.5Sr2Ti2.5Si6O19[OH]0.5[H2O]6
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: oS110
  • Space Group: 65
  • Phase Prototype: Na0.5Sr2Ti2.5Si6O19[OH]0.5[H2O]6
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Philips X'Pert PRO MPD PW3040 (determination of structural parameters), X-rays, Cu 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, Rietveld refinement; 50 variables; 397 reflections, RP = 0.0530; wRP = 0.0697
  • Sample Detail(s): sample prepared from SrCl2[H2O]6, Na-ETS-4, chemical analysis, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Na0.5Sr2Ti2.5Si6O19[OH]0.5[H2O]6
  • Alphabetic Formula: [H2O]6Na0.5O19[OH]0.5Si6Sr2Ti2.5
  • Published Formula: NaSr4Si12Ti5O38(OH)·12H2O
  • Refined Formula: H12.02Na0.32O25.12Si5.90Sr1.93Ti2.47
  • Wyckoff Sequence: 65,rq3p2n3l2j2ifea
  • Z Formula Units: 2
  • Density: ρ = 2.54 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_1413912

  • 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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