Inorganic Solid Phases

K23Na4[{Mo6O21(H2O)3(SO4)}12(VO(H2O))15(MoO(H2O))8(Fe(H2O)2)7]·150H2O (K23Na4V15Mo80Fe7[SO4]12O275[H2O]223, T = 173 K) Crystal Structure

General Information

  • Phase Label(s): K23Na4V15Mo80Fe7[SO4]12O275[H2O]223
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: tP3096
  • Space Group: 138
  • Phase Prototype: K23Na4(V0.50Mo0.27Fe0.23)30Mo72[SO4]12O275[H2O]223
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS D8 SMART APEX (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 173 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): sulfate, oxide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement; 21697 reflections; I > 2σ(I), R = 0.0662
  • Sample Detail(s): sample prepared from Na2MoO4[H2O]2, VOSO4[H2O]5, FeSO4[H2O]7, KCl, chemical analysis; 4.44 wt.% K, 0.42 wt.% Na, 3.77 wt.% V, 2.28 wt.% Fe, single crystal (determination of cell parameters), single crystal, 0.12×0.18×0.24 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K23Na4V15Mo80Fe7[SO4]12O275[H2O]223
  • Alphabetic Formula: Fe7[H2O]223K23Mo80Na4O275[SO4]12V15
  • Published Formula: K23Na4[{Mo6O21(H2O)3(SO4)}12(VO(H2O))15(MoO(H2O))8(Fe(H2O)2)7]·150H2O
  • Refined Formula: Fe6.99H206K21Mo80.01O498.60S12V15
  • Wyckoff Sequence: 138,j173i37g3e2
  • Z Formula Units: 4
  • Density: ρ = 2.54 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_1420197

  • 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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