Inorganic Solid Phases

Fe2+Mn2+2(PO4)2·3H2O (Mn1.70Fe1.30[PO4]2[H2O]3) Crystal Structure

General Information

  • Phase Label(s): Mn1.70Fe1.30[PO4]2[H2O]3
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): correianevesite
  • Pearson Symbol: oP64
  • Space Group: 60
  • Phase Prototype: Fe3[PO4]2[OH]3
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Oxford Diffraction Xcalibur S (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 293(2) K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthophosphate, hydrate
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement on F2; 90 variables; 1662 reflections; I > 2σ(I), R = 0.0176; wR = 0.0417
  • Sample Detail(s): correianevesite sample from Brazil, Minas Gerais, Conselheiro Pena, Cigana mine, electron microprobe analysis, gas chromatography, Mössbauer spectroscopy; H5.78Mn1.70Fe2+1.25Fe3+0.08P2.015O11, single crystal (determination of cell parameters), single crystal, 0.19×0.32×0.38 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Mn1.70Fe1.30[PO4]2[H2O]3
  • Alphabetic Formula: Fe1.30[H2O]3Mn1.70[PO4]2
  • Published Formula: Fe2+Mn2+2(PO4)2·3H2O
  • Refined Formula: Fe1.32H6Mn1.68O11P2
  • Wyckoff Sequence: 60,d7ca
  • Z Formula Units: 4
  • Density: ρ = 3.26 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
U [nm2]
Type
Computed
Beq [nm2]

Anisotropic

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

Powder Pattern

published defraction line
d [Å]
computed diffraction line for Cu Kα
d [nm]
intensity
I [1]
h [1]
k [1]
l [1]
Radiation
Remark

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1235321

  • 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