Inorganic Solid Phases

[LiAl2(OH)6](NO3)·0.95H2O, [Li-Al-NO3] LDH (phase-II) (LiAl2[NO3][OH]6[H2O]0.95, T = 323 K) Crystal Structure

General Information

  • Phase Label(s): LiAl2[NO3][OH]6[H2O]0.95
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hP38
  • Space Group: 193
  • Phase Prototype: LiAl2[NO3][OH]6[H2O]0.95
  • Measurement Detail(s): automatic diffractometer; 147 (determination of cell parameters), automatic diffractometer; PANalytical Empyrean (determination of structural parameters), X-rays, Cu Kα; λ = 0.15418 nm (determination of cell and structural parameters), T = 323 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): nitrate, hydroxide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, Rietveld refinement; 49 variables, RP = 0.0675; wRP = 0.0825
  • Sample Detail(s): sample prepared from (LiAl2[OH]6)[NO3][H2O]1.2, phase-I, flame spectroscopy, ion chromatography, thermogravimetry; Li, NO3 and water content analyzed, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: LiAl2[NO3][OH]6[H2O]0.95
  • Alphabetic Formula: Al2[H2O]0.95Li[NO3][OH]6
  • Published Formula: [LiAl2(OH)6](NO3)·0.95H2O, [Li-Al-NO3] LDH (phase-II)
  • Refined Formula: Al2H7.90LiNO9.95
  • Wyckoff Sequence: 193,kjgdba
  • Z Formula Units: 2
  • Density: ρ = 2.45 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1041151

  • 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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