Inorganic Solid Phases

K2Na5Fe2+14Fe3+[PO4]12(OH)2 (K2Na5Fe15[PO4]12[OH]2) Crystal Structure

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General Information

  • Phase Label(s): K2Na5Fe15[PO4]12[OH]2
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: mS400
  • Space Group: 15
  • Phase Prototype: K2Na5Fe15[PO4]12[OH]2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Syntex P1 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): hydroxide, orthophosphate
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement; 3057 reflections; I > 1.96σ(I), R = 0.041
  • Sample Detail(s): arrojadite sample from synthetic, sample prepared from KCl, CsCl, Fe2O3 (hematite), H[NH4]2[PO4], energy-dispersive X-ray analysis; Fe, P, K and Na detected, single crystal (determination of cell parameters), single crystal, 0.1×0.1×0.25 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K2Na5Fe15[PO4]12[OH]2
  • Alphabetic Formula: Fe15K2Na5[OH]2[PO4]12
  • Published Formula: K2Na5Fe2+14Fe3+[PO4]12(OH)2
  • Refined Formula: Fe15.18H2.50K1.72Na4.42O50P12
  • Wyckoff Sequence: 15,f47e3cba
  • Z Formula Units: 4
  • Density: ρ = 3.70 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
B [nm2]
Type
Computed
Beq [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1602884

  • 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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