Inorganic Solid Phases

Na1.5Li[Ti2Si4O12.5(OH)1.5]·2H2O (Na1.5LiTi2Si4O12.5[OH]1.5[H2O]2) Crystal Structure

General Information

  • Phase Label(s): Na1.5LiTi2Si4O12.5[OH]1.5[H2O]2
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): eliseevite
  • Pearson Symbol: mS100
  • Space Group: 15
  • Phase Prototype: Na1.5LiTi2Si4O12.5[OH]1.5[H2O]2
  • 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, silicate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement; 959 reflections; F > 4σ(F), R = 0.058; wR = 0.164
  • Sample Detail(s): eliseevite sample from Russia, Kola Peninsula, Lovozero massif, Mt. Alluaiv, electron microprobe analysis; (Na1.51K0.01Ca0.01)Li0.98[(Ti1.89Nb0.03Fe3+0.01Al0.01)Si4O12.26[OH]1.74][H2O]2.12, single crystal (determination of cell parameters), single crystal, 0.04×0.12×0.26 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na1.5LiTi2Si4O12.5[OH]1.5[H2O]2
  • Alphabetic Formula: [H2O]2LiNa1.5O12.5[OH]1.5Si4Ti2
  • Published Formula: Na1.5Li[Ti2Si4O12.5(OH)1.5]·2H2O
  • Refined Formula: H5.50LiNa1.50O16Si4Ti2
  • Wyckoff Sequence: 15,f12e
  • Z Formula Units: 4
  • Density: ρ = 2.72 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_1226194

  • 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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