Inorganic Solid Phases

(NH4)0.32H0.38(Ti1.65Mg0.35)O4·0.68H2O (H0.38[NH4]0.32Mg0.35Ti1.65O4[H2O]0.68) Crystal Structure

General Information

  • Phase Label(s): H0.38[NH4]0.32Mg0.35Ti1.65O4[H2O]0.68
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: oI14
  • Space Group: 71
  • Phase Prototype: H0.38([NH4]0.32[H2O]0.68)(Mg0.175Ti0.825)2O4
  • 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 = 0.183
  • Sample Detail(s): sample prepared from Cs0.7Ti1.65Mg0.35O4, NH3, thermogravimetry, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: H0.38[NH4]0.32Mg0.35Ti1.65O4[H2O]0.68
  • Alphabetic Formula: H0.38[H2O]0.68Mg0.35[NH4]0.32O4Ti1.65
  • Published Formula: (NH4)0.32H0.38(Ti1.65Mg0.35)O4·0.68H2O
  • Refined Formula: H2.64Mg0.36N0.32O4.68Ti1.64
  • Wyckoff Sequence: 71,ji2a
  • Z Formula Units: 2
  • Density: ρ = 2.77 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_2041664

  • 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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