Inorganic Solid Phases

αββα-Na16(MnOH2)2Mn2(As2W15O56)2·55H2O (Na16W30Mn4[AsO4]4O96[H2O]57, T = 100(2) K) Crystal Structure

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General Information

  • Phase Label(s): Na16W30Mn4[AsO4]4O96[H2O]57
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: aP234
  • Space Group: 2
  • Phase Prototype: Na16W30Mn4[AsO4]4O96[H2O]57
  • Measurement Detail(s): automatic diffractometer; 8458 (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 = 100(2) K (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): arsenate, oxide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement; 609 variables; 20297 reflections; I > 2σ(I), R = 0.0620; wR = 0.1428
  • Sample Detail(s): sample prepared from Mn[NO3]2[H2O]4, α-Na12[As2W15O56], chemical analysis, thermogravimetry; 3.32 wt.% As, 2.42 wt.% Mn, 4.11 wt.% Na, 60.2 wt.% W; 55 H2O lost while heating up to 773 K, single crystal (determination of cell parameters), single crystal, 0.07×0.18×0.35 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na16W30Mn4[AsO4]4O96[H2O]57
  • Alphabetic Formula: [AsO4]4[H2O]57Mn4Na16O96W30
  • Published Formula: αββα-Na16(MnOH2)2Mn2(As2W15O56)2·55H2O
  • Refined Formula: As4H120Mn4Na16O172W30
  • Wyckoff Sequence: 2,i117
  • Z Formula Units: 1
  • Density: ρ = 4.00 Mg·m−3
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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_1229962

  • 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)

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