Inorganic Solid Phases

K7.33Fe10(PO4)12O0.66 (K1.83Fe2.5[PO4]3O0.17) Crystal Structure

General Information

  • Phase Label(s): K1.83Fe2.5[PO4]3O0.17
  • Structure Class(es):
  • Classification by Properties: antiferromagnet AFM
  • Mineral Name(s):
  • Pearson Symbol: cP92
  • Space Group: 198
  • Phase Prototype: K1.83V2.5[PO4]3O0.17
  • Measurement Detail(s): automatic diffractometer; 25 (determination of cell parameters), automatic diffractometer; Enraf-Nonius CAD4 (determination of structural parameters), X-rays, Mo Kα; λ = 0.07107 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthophosphate, oxide
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; 74 variables; 864 reflections; F > 4σ(F), R = 0.027; wR = 0.054
  • Sample Detail(s): sample prepared from FePO4, K3PO4, K2Mo2O7, single crystal (determination of cell parameters), single crystal, 0.04×0.18×0.24 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K1.83Fe2.5[PO4]3O0.17
  • Alphabetic Formula: Fe2.5K1.83O0.17[PO4]3
  • Published Formula: K7.33Fe10(PO4)12O0.66
  • Refined Formula: Fe2.49K1.83O12.16P3
  • Wyckoff Sequence: 198,b6a5
  • Z Formula Units: 4
  • Density: ρ = 3.40 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]

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_1412171

  • 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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