Inorganic Solid Phases

MnFe2[PO4][OH]2[H2O], < 11 wt.% Al2O3; Mn0.55Fe0.25Mg0.13Zn0.07[Fe1.33Al0.67](PO4)1.85(OH)2·8(H2O,OH) (Mg0.13Mn0.62Fe1.48Al0.67[PO4]1.85[OH]2[H2O]8) Crystal Structure

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General Information

  • Phase Label(s): Mg0.13Mn0.62Fe1.48Al0.67[PO4]1.85[OH]2[H2O]8
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): laueite
  • Pearson Symbol: aP23
  • Space Group: 2
  • Phase Prototype: MnFe2[PO4]2[OH]2[H2O]8
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Australia, Clayton, Australian Synchrotron, 3-ID-1, MX2 (determination of structural parameters), X-rays, Mo Kα; λ = 0.07100 nm (determination of cell parameters), X-rays, synchrotron; λ = 0.07100 nm (determination of structural parameters), T = 293 K (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): hydroxide, orthophosphate, hydrate
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 155 variables; 1294 reflections; I > 2σ(I), R = 0.0371; wR = 0.0946
  • Sample Detail(s): laueite sample from Germany, Bavaria, Hagendorf Süd, Cornelia mine, sample prepared from laueite, electron microprobe analysis; Mn0.55Fe0.25Mg0.13Zn0.07(Fe1.33Al0.67)[PO4]1.85[OH]2[H2O,OH]8, single crystal (determination of cell parameters), single crystal, 0.01×0.06×0.08 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Mg0.13Mn0.62Fe1.48Al0.67[PO4]1.85[OH]2.45[H2O]7.55
  • Alphabetic Formula: Al0.67[H2O]7.55Fe1.48[OH]2.45[PO4]1.85Mg0.13Mn0.62
  • Published Formula: MnFe2[PO4][OH]2[H2O], < 11 wt.% Al2O3; Mn0.55Fe0.25Mg0.13Zn0.07[Fe1.33Al0.67](PO4)1.85(OH)2·8(H2O,OH)
  • Refined Formula: Al0.76Fe1.24H18Mg0.15Mn0.85O18P1.92
  • Wyckoff Sequence: 2,i10hca
  • Z Formula Units: 1
  • Density: ρ = 2.28 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]

Anisotropic

Site
U11 [nm2]
U22 [nm2]
U33 [nm2]
U12 [nm2]
U13 [nm2]
U23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1237620

  • 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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