Inorganic Solid Phases

Na4Ti2Si8O22·4H2O (Na2Zr0.1Ti0.9Si4O11[H2O]2) Crystal Structure

General Information

  • Phase Label(s): Na2Zr0.1Ti0.9Si4O11[H2O]2
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): penkvilksite
  • Pearson Symbol: oP80
  • Space Group: 60
  • Phase Prototype: Na2(Zr0.1Ti0.9)Si4O11[H2O]2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Philips (determination of structural parameters), X-rays, Cu Kα; λ = 0.154178 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate, hydrate
  • Interpretation Detail(s): complete structure determined, Rietveld refinement, multiphase; 56 variables, RP = 0.076; wRP = 0.098
  • Sample Detail(s): penkvilksite sample from Russia, Kola Peninsula, Lovozero massif, electron microprobe analysis; 54.69 wt.% SiO2, 15.91 wt.% TiO2, 2.17 wt.% ZrO2, 13.13 wt.% Na2O, 8.33 wt.% H2O; amounts of 1M polytype (4.1 wt.%), powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Na2Zr0.1Ti0.9Si4O11[H2O]2
  • Alphabetic Formula: [H2O]2Na2O11Si4Ti0.9Zr0.1
  • Published Formula: Na4Ti2Si8O22·4H2O
  • Refined Formula: H4Na2O13Si4Ti0.90Zr0.10
  • Wyckoff Sequence: 60,d9ca
  • Z Formula Units: 4
  • Density: ρ = 2.65 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]

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_1617062

  • 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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