Inorganic Solid Phases

Fe2(PO4)(SO4)(OH)·6H2O (Fe1.8Al0.2[PO4][SO4][OH][H2O]6) Crystal Structure

General Information

  • Phase Label(s): Fe1.8Al0.2[PO4][SO4][OH][H2O]6
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): diadochite
  • Pearson Symbol: aP38
  • Space Group: 2
  • Phase Prototype: Fe2[PO4][SO4][OH][H2O]6
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Enraf-Nonius CAD4 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, orthophosphate, sulfate, hydrate
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; 174 variables; 1420 reflections; I > 2σ(I), R = 0.046; wR = 0.048
  • Sample Detail(s): diadochite sample from U.S.A. Tennessee, Great Smoky Mountains, Sevier County, Mt. Le Conte, electron microprobe analysis; Mg0.06Fe3+3.82Al0.45P2.03S2.18H21.54O28.86, single crystal (determination of cell parameters), single crystal, 0.031×0.047×0.055 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Fe1.8Al0.2[PO4][SO4][OH][H2O]6
  • Alphabetic Formula: Al0.2Fe1.8[H2O]6[OH][PO4][SO4]
  • Published Formula: Fe2(PO4)(SO4)(OH)·6H2O
  • Refined Formula: Al0.21Fe1.79H13O15PS
  • Wyckoff Sequence: 2,i19
  • Z Formula Units: 2
  • Density: ρ = 2.41 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
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_1214211

  • 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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