Inorganic Solid Phases

Na0.7(Ti1.65Mg0.35)O4·0.7H2O (Na0.35Mg0.175Ti0.825O2[H2O]0.37) Crystal Structure

General Information

  • Phase Label(s): Na0.35Mg0.175Ti0.825O2[H2O]0.37
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: oI16
  • Space Group: 44
  • Phase Prototype: Na0.35(Mg0.175Ti0.825)O2[H2O]0.37
  • Measurement Detail(s): diffractometer (determination of cell parameters), diffractometer; Philips PW1050 (determination of structural parameters), X-rays, Cu Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement, R = 0.146
  • Sample Detail(s): sample prepared from Cs0.7Ti1.65Mg0.35O4, NaCl, mass change after combustion, thermogravimetry, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Na0.35Mg0.175Ti0.825O2[H2O]0.37
  • Alphabetic Formula: [H2O]0.37Mg0.175Na0.35O2Ti0.825
  • Published Formula: Na0.7(Ti1.65Mg0.35)O4·0.7H2O
  • Refined Formula: H0.70Mg0.18Na0.35O2.35Ti0.82
  • Wyckoff Sequence: 44,d4
  • Z Formula Units: 4
  • Density: ρ = 2.97 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

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_2041660

  • 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

    Citation copied