Inorganic Solid Phases

Na1.9Zn0.1Fe3[PO4]2(OH)1.9O0.1 (Na1.9Zn0.1Fe3[PO4]2O0.1[OH]1.9) Crystal Structure

General Information

  • Phase Label(s): Na1.9Zn0.1Fe3[PO4]2O0.1[OH]1.9
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: oP72
  • Space Group: 62
  • Phase Prototype: Na1.9Zn0.1Fe3[PO4]2O0.1[OH]1.9
  • 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, oxide
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement; 1640 reflections; I > 3σ(I)
  • Sample Detail(s): 40.5 wt.% FeO, 36.6 wt.% P2O5, 11.20 wt.% Na2O, 9.23 wt.% ZnO, 2.65 wt.% H2O, single crystal (determination of cell parameters), single crystal, 0.4 mm diameter (determination of structural parameters)

Substance Summary

  • Standard Formula: Na1.9Zn0.1Fe3[PO4]2O0.1[OH]1.9
  • Alphabetic Formula: Fe3Na1.9O0.1[OH]1.9[PO4]2Zn0.1
  • Published Formula: Na1.9Zn0.1Fe3[PO4]2(OH)1.9O0.1
  • Refined Formula: Fe3H1.90Na1.90O10P2Zn0.10
  • Wyckoff Sequence: 62,d3c11a
  • Z Formula Units: 4
  • Density: ρ = 3.65 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
β11 [nm2]
β22 [nm2]
β33 [nm2]
β12 [nm2]
β13 [nm2]
β23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1812571

  • 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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