Inorganic Solid Phases

{Na6(H2O)12[Fe//2]2[Fe///4(PO4)][Fe//(Mo6O15)2(PO4)8]2}(OH)3·33H2O (Na6Mo24Fe10[PO4]17O60[OH]3[H2O]45) Crystal Structure

General Information

  • Phase Label(s): Na6Mo24Fe10[PO4]17O60[OH]3[H2O]45
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: tI1864
  • Space Group: 142
  • Phase Prototype: Na6Mo24Fe10[PO4]17O60[OH]3[H2O]45
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS APEX II (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 296(2) K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, orthophosphate, oxide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement on F2; 527 variables; 5405 reflections; I > 2σ(I), R = 0.0371; wR = 0.0893
  • Sample Detail(s): sample prepared from FeCl2[H2O]4, Na2MoO4[H2O]4, H3PO4, imidazole, chemical analysis; 1.47 wt.% H, 44.01 wt.% O, single crystal (determination of cell parameters), single crystal, 0.32×0.37×0.41 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na6Mo24Fe10[PO4]17O60[OH]3[H2O]45
  • Alphabetic Formula: Fe10[H2O]45Mo24Na6O60[OH]3[PO4]17
  • Published Formula: {Na6(H2O)12[Fe//2]2[Fe///4(PO4)][Fe//(Mo6O15)2(PO4)8]2}(OH)3·33H2O
  • Refined Formula: Fe10H96Mo24Na6O176P17
  • Wyckoff Sequence: 142,g56fe2da
  • Z Formula Units: 8
  • Density: ρ = 2.97 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1722352

  • 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