Inorganic Solid Phases

Na12[αββα-(Cu2+OH2)2(Cu2+)2(AsW15(OH2)3(OH)O52)2]·62H2O (Na6Cu2W15[AsO4]O48[OH][H2O]31, T = 173 K) Crystal Structure

General Information

  • Phase Label(s): Na6Cu2W15[AsO4]O48[OH][H2O]31
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: aP244
  • Space Group: 2
  • Phase Prototype: Na6Cu2W15[AsO4]O48[OH][H2O]31
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS 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): arsenate, hydroxide, oxide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement on F2; 580 variables; 18805 reflections; I > 2σ(I), R = 0.0454; wR = 0.0998
  • Sample Detail(s): sample prepared from K7(AsW18[OH]4O58)[H2O]18, NaClO4[H2O], chemical analysis; 6.8 wt.% Na, 1.7 wt.% As, 9.5 wt.% H2O, 62 wt.% W, single crystal (determination of cell parameters), single crystal, 0.08×0.16×0.18 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na6Cu2W15[AsO4]O48[OH][H2O]31
  • Alphabetic Formula: [AsO4]Cu2[H2O]31Na6O48[OH]W15
  • Published Formula: Na12[αββα-(Cu2+OH2)2(Cu2+)2(AsW15(OH2)3(OH)O52)2]·62H2O
  • Refined Formula: AsCu2H63.20Na6O83.99W15
  • Wyckoff Sequence: 2,i122
  • Z Formula Units: 2
  • Density: ρ = 3.95 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_1220753

  • 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