Inorganic Solid Phases

Na3[Ti4(OH)O3(SiO4)3]·7H2O (KNa2Ti4[SiO4]3O3[OH][H2O]7) Crystal Structure

General Information

  • Phase Label(s): KNa2Ti4[SiO4]3O3[OH][H2O]7
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): ivanyukite-Na T
  • Pearson Symbol: hR99
  • Space Group: 160
  • Phase Prototype: Na4Ti4[SiO4]3O4[H2O]6
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; STOE IPDS II (determination of structural parameters), X-rays, Mo Kα (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; absolute structure determined, least-squares refinement; 723 reflections; F > 4σ(F), R = 0.147; wR = 0.384
  • Sample Detail(s): ivanyukite sample from Russia, Kola Peninsula, Khibiny massif, Mt. Koashva, electron microprobe analysis; (Na1.82K0.95Ca0.03Ba0.01)[(Ti3.68Nb0.17Fe0.06Mn0.01)(Si2.99Al0.01)O14.59[OH]1.37][H2O]7.29, single crystal (determination of cell parameters), single crystal, 0.04×0.04×0.08 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: KNa2Ti4[SiO4]3O3[OH][H2O]7
  • Alphabetic Formula: [H2O]7KNa2O3[OH][SiO4]3Ti4
  • Published Formula: Na3[Ti4(OH)O3(SiO4)3]·7H2O
  • Refined Formula: H13K0.52Na1.44O22Si3Ti4
  • Wyckoff Sequence: 160,cb8a3
  • Z Formula Units: 3
  • Density: ρ = 2.58 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]

Anisotropic

Site
U11 [nm2]
U22 [nm2]
U33 [nm2]
U12 [nm2]
U13 [nm2]
U23 [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_1223857

  • 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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