Inorganic Solid Phases

Ca2Na6[H2W12O42]·30H2O (HNa3CaW6O21[H2O]15) Crystal Structure

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General Information

  • Phase Label(s): HNa3CaW6O21[H2O]15
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: mP184
  • Space Group: 14
  • Phase Prototype: HKNa3[H3O]W6O21[H2O]14
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS SMART APEX II (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; 365 variables; 3841 reflections; I > 2σ(I), R = 0.0502; wR = 0.0804
  • Sample Detail(s): sample prepared from Na12(Bi2W22O74[OH]2)[H2O]44, CaCl2, Na9[BiW9O33][H2O]16, Na2CO3, inductive coupled plasma method; 2.04 wt.% Ca, 3.64 wt.% Na, 60.11 wt.% W, single crystal (determination of cell parameters), single crystal, 0.108×0.112×0.212 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: HNa3CaW6O21[H2O]15
  • Alphabetic Formula: CaH[H2O]15Na3O21W6
  • Published Formula: Ca2Na6[H2W12O42]·30H2O
  • Refined Formula: CaH30Na3O36W6
  • Wyckoff Sequence: 14,e46
  • Z Formula Units: 4
  • Density: ρ = 3.87 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_1940806

  • 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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