Inorganic Solid Phases

NaFe3(OH)4(PO4)2·2H2O; cyrilovite (NaFe3[PO4]2[OH]4[H2O]2) Crystal Structure

General Information

  • Phase Label(s): NaFe3[PO4]2[OH]4[H2O]2
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): cyrilovite
  • Pearson Symbol: tP80
  • Space Group: 92
  • Phase Prototype: NaAl3[PO4]2[OH]4[H2O]2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Philips PW1100 (determination of structural parameters), X-rays, Mo Kα; λ = 0.071069 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, orthophosphate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 92 variables; 907 reflections; I > 3σ(I), R = 0.053; wR = 0.056
  • Sample Detail(s): cyrilovite sample from Italy, Sardinia, Bosa area, energy-dispersive X-ray analysis; 31.77 wt.% P2O5, 47.19 wt.% Fe2O3, 0.80 wt.% CaO, 6.28 wt.% Na2O, 14.95 wt.% H2O, single crystal (determination of cell parameters), single crystal, 0.07×0.14×0.15 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: NaFe3[PO4]2[OH]4[H2O]2
  • Alphabetic Formula: Fe3[H2O]2Na[OH]4[PO4]2
  • Published Formula: NaFe3(OH)4(PO4)2·2H2O; cyrilovite
  • Refined Formula: Fe3H8NaO14P2
  • Wyckoff Sequence: 92,b9a2
  • Z Formula Units: 4
  • Density: ρ = 3.12 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

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_1923522

  • 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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