Inorganic Solid Phases

K17{[{KIn2(μ-OH)2}(α,α-Si2W18O66)]2[In6(μ-OH)13(H2O)8]}·35H2O (K19W36In10[SiO4]4O116[OH]17[H2O]43, T = 150 K) Crystal Structure

General Information

  • Phase Label(s): K19W36In10[SiO4]4O116[OH]17[H2O]43
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mP1018
  • Space Group: 14
  • Phase Prototype: K19W36In10[SiO4]4O116[OH]17[H2O]43
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Rigaku Saturn 724+ (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 150 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, orthosilicate, oxide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement on F2; 2113 variables; 34297 reflections; I > 2σ(I), R = 0.0829; wR = 0.2077
  • Sample Detail(s): sample prepared from K13[(K[H2O]3)2(K[H2O]2)(α,α-Si2W18O66)][H2O]19, InCl3, KOH, KCl, elemental analysis; 59.3 wt.% W, 23.4 wt.% O, 10.0 wt.% In, 6.42 wt.% K, 1.02 wt.% Si, 0.23 wt.% H, single crystal (determination of cell parameters), single crystal, 0.05×0.06×0.21 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K19W36In10[SiO4]4O116[OH]17[H2O]43
  • Alphabetic Formula: [H2O]43In10K19O116[OH]17[SiO4]4W36
  • Published Formula: K17{[{KIn2(μ-OH)2}(α,α-Si2W18O66)]2[In6(μ-OH)13(H2O)8]}·35H2O
  • Refined Formula: H72In10K11.50O193Si4W36
  • Wyckoff Sequence: 14,e254d
  • Z Formula Units: 4
  • 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_1835876

  • 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