Inorganic Solid Phases

2H-[Li0.25Al0.66(OH)2][CO3]0.125·0.72H2O (Li0.75Al2[CO3]0.375[OH]6[H2O]2.16) Crystal Structure

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General Information

  • Phase Label(s): Li0.75Al2[CO3]0.375[OH]6[H2O]2.16
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: hP32
  • Space Group: 176
  • Phase Prototype: Li0.75Al2[CO3]0.375[OH]6[H2O]2.16
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS D8 ADVANCE (determination of structural parameters), X-rays, Cu Kα; λ = 0.15418 nm (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): carbonate, hydroxide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, Rietveld refinement, RP = 0.1068; wRP = 0.1763; RB = 0.0989
  • Sample Detail(s): sample prepared from gibbsite, Li2CO3, chemical analysis, thermogravimetry; (Li0.25Al0.66[OH]2)[CO3]0.125[H2O]0.72, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Li0.75Al2[CO3]0.375[OH]6[H2O]2.16
  • Alphabetic Formula: Al2[CO3]0.375[H2O]2.16Li0.75[OH]6
  • Published Formula: 2H-[Li0.25Al0.66(OH)2][CO3]0.125·0.72H2O
  • Refined Formula: Al2C0.31H9.14Li0.60O9.28
  • Wyckoff Sequence: 176,ih2fdb
  • Z Formula Units: 2
  • Density: ρ = 2.18 Mg·m−3
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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_1633169

  • 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)

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