Inorganic Solid Phases

Na5.36Ti4(Si4O12)2(O0.34(OH)0.66)4·10.31H2O (Na2.68Ti2Si4O12.68[OH]1.32[H2O]5.16) Crystal Structure

General Information

  • Phase Label(s): Na2.68Ti2Si4O12.68[OH]1.32[H2O]5.16
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: oS76
  • Space Group: 65
  • Phase Prototype: Na2.68Ti2Si4O12(O0.34[OH]0.66)2[H2O]5.16
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS SMART APEX (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 293 K (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; 68 variables; 643 reflections, R = 0.079; wR = 0.125
  • Sample Detail(s): sample prepared from SiO2, TiO2 rutile, NaOH, KOH, Ce nitrate, Sr nitrate, Ca nitrate, Ba nitrate, amounts of unidentified Ce and K silicate, single crystal (determination of cell parameters), single crystal, 0.015×0.050×0.080 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na2.68Ti2Si4O12.68[OH]1.32[H2O]5.16
  • Alphabetic Formula: [H2O]5.16Na2.68O12.68[OH]1.32Si4Ti2
  • Published Formula: Na5.36Ti4(Si4O12)2(O0.34(OH)0.66)4·10.31H2O
  • Refined Formula: H11.60Na2.66O19.14Si4Ti2
  • Wyckoff Sequence: 65,rp2n2lkjihgf
  • Z Formula Units: 2
  • Density: ρ = 2.67 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_1218196

  • 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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