Inorganic Solid Phases

K9Na4[(A-β-SiW9O34)2(YbOH2)3CO3]·20H2O (K11Na2Yb3W18[SiO4]2[CO3]O60[H2O]23, T = 100 K) Crystal Structure

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General Information

  • Phase Label(s): K11Na2Yb3W18[SiO4]2[CO3]O60[H2O]23
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: mS572
  • Space Group: 15
  • Phase Prototype: K11Na2Yb3W18[SiO4]2[CO3]O60[H2O]23
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS APEX (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 100 K (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): carbonate, orthosilicate, oxide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement on F2; 540 variables; 13241 reflections, R = 0.1289; wR = 0.1515
  • Sample Detail(s): sample prepared from YbCl3[H2O]6, KCl, Na9H[A-β-SiW9O34][H2O]x, Na2CO3, chemical analysis; 0.17 wt.% C, 7.04 wt.% K, 0.70 wt.% Na, 0.90 wt.% Si, 55.91 wt.% W, 8.97 wt.% Yb, 6.94 wt.% H2O, single crystal (determination of cell parameters), single crystal, 0.09×0.10×0.13 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K11Na2Yb3W18[SiO4]2[CO3]O60[H2O]23
  • Alphabetic Formula: [CO3][H2O]23K11Na2O60[SiO4]2W18Yb3
  • Published Formula: K9Na4[(A-β-SiW9O34)2(YbOH2)3CO3]·20H2O
  • Refined Formula: CH46K11Na2O94Si2W18Yb3
  • Wyckoff Sequence: 15,f69e5
  • Z Formula Units: 4
  • Density: ρ = 4.30 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_1222205

  • 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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