Inorganic Solid Phases

Na8.25[(Mn(III)(H2O))2.25(WO(H2O))0.75(AsW9O33)2]·28H2O (Na8.25W18.75Mn2.25As2O66.75[H2O]31) Crystal Structure

General Information

  • Phase Label(s): Na8.25W18.75Mn2.25As2O66.75[H2O]31
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: aP268
  • Space Group: 2
  • Phase Prototype: Na8.25W18.75Mn2.25[AsO3]2O60.75[H2O]31
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; STOE IPDS (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 293(2) K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement on F2; 697 variables; 11194 reflections; I > 2σ(I), R = 0.0835; wR = 0.2067
  • Sample Detail(s): sample prepared from Na2WO4[H2O]2, As2O3, HCl, NaOH, Mn(CH3COO)3[H2O]2, energy-dispersive X-ray analysis, infrared spectroscopy, Raman spectroscopy; W/As/Mn ratio 18.75/1.9/2.2, single crystal (determination of cell parameters), single crystal, 0.16×0.32×0.32 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na8.25W18.75Mn2.25[AsO3]2O60.75[H2O]31
  • Alphabetic Formula: [AsO3]2[H2O]31Mn2.25Na8.25O60.75W18.75
  • Published Formula: Na8.25[(Mn(III)(H2O))2.25(WO(H2O))0.75(AsW9O33)2]·28H2O
  • Refined Formula: As2H62Mn2.25Na7O97.75W18.75
  • Wyckoff Sequence: 2,i133dc
  • Z Formula Units: 2
  • Density: ρ = 3.99 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_1621579

  • 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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