Inorganic Solid Phases

LiAlPO4(OH)1−xFx, x= 0.04 (LiAl[PO4][OH]0.5F0.5) Crystal Structure

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General Information

  • Phase Label(s): LiAl[PO4][OH]0.5F0.5
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): amblygonite/montebrasite
  • Pearson Symbol: aP16
  • Space Group: 2
  • Phase Prototype: LiAl[PO4][OH]
  • Measurement Detail(s): automatic diffractometer; 25 (determination of cell parameters), automatic diffractometer; Nicolet R3m (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): hydroxide, orthophosphate, fluoride
  • Interpretation Detail(s): complete structure determined; composition dependence studied, 908 reflections; I > 2.5σ(I), R = 0.022; wR = 0.025
  • Sample Detail(s): electron microprobe analysis; 10.21 wt.% Li2O, 34.35 wt.% Al2O3, 48.89 wt.% P2O5, 6.15 wt.% H2O, single crystal (determination of cell parameters), single crystal, 0.14×0.20×0.21 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: LiAl[PO4][OH]0.96F0.04
  • Alphabetic Formula: AlF0.04Li[OH]0.96[PO4]
  • Published Formula: LiAlPO4(OH)1−xFx, x= 0.04
  • Refined Formula: AlF0.04H0.96LiO4.96P
  • Wyckoff Sequence: 2,i7gc
  • Z Formula Units: 2
  • Density: ρ = 3.03 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_1616224

  • 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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