Inorganic Solid Phases

(Fe0.89Mn0.11)Al(PO4)(OH)2·H2O (Mn0.1Fe0.9Al[PO4][OH]2[H2O]) Crystal Structure

General Information

  • Phase Label(s): Mn0.1Fe0.9Al[PO4][OH]2[H2O]
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): childrenite
  • Pearson Symbol: oS80
  • Space Group: 41
  • Phase Prototype: (Mn0.11Fe0.89)Al[PO4][OH]2[H2O]
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Philips PW1100 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, orthophosphate, hydrate
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; 713 reflections; I > 3σ(I), R = 0.0171
  • Sample Detail(s): childrenite sample from United Kingdom, England, Devonshire, Tavistok, single crystal (determination of cell parameters), single crystal, 0.31×0.44×0.47 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Mn0.11Fe0.89Al[PO4][OH]2[H2O]
  • Alphabetic Formula: AlFe0.89[H2O]Mn0.11[OH]2[PO4]
  • Published Formula: (Fe0.89Mn0.11)Al(PO4)(OH)2·H2O
  • Refined Formula: AlFe0.89H4Mn0.11O7P
  • Wyckoff Sequence: 41,b10
  • Z Formula Units: 8
  • Density: ρ = 3.17 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
B [nm2]
Type
Computed
Beq [nm2]

Anisotropic

Site
β11 [nm2]
β22 [nm2]
β33 [nm2]
β12 [nm2]
β13 [nm2]
β23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1624077

  • 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

    Citation copied