Inorganic Solid Phases

K26[(Er2PW10O38)4(W3O8)(OH)4)(H2O)2]·91H2O (K26Er8W43[PO4]4O144[OH]4[H2O]93, T = 150(2) K) Crystal Structure

General Information

  • Phase Label(s): K26Er8W43[PO4]4O144[OH]4[H2O]93
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mS1084
  • Space Group: 15
  • Phase Prototype: K26Er8W43[PO4]4O144[OH]4[H2O]93
  • Measurement Detail(s): automatic diffractometer; 8957 (determination of cell parameters), automatic diffractometer; Oxford Diffraction Xcalibur R (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell parameters), X-rays, Mo Kα (determination of structural parameters), T = 150(2) K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, orthophosphate, oxide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 717 variables; 15393 reflections; I > 2σ(I), R = 0.0844; wR = 0.2137
  • Sample Detail(s): sample prepared from Er[NO3]3[H2O]5, K14(P2W19O69[H2O])[H2O]24, KCl, chemical analysis, thermogravimetry, single crystal (determination of cell parameters), single crystal, 0.05×0.08×0.13 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K26Er8W43[PO4]4O144[OH]4[H2O]93
  • Alphabetic Formula: Er8[H2O]93K26O144[OH]4[PO4]4W43
  • Published Formula: K26[(Er2PW10O38)4(W3O8)(OH)4)(H2O)2]·91H2O
  • Refined Formula: Er8H68K17.60O198P4W43
  • Wyckoff Sequence: 15,f134e3
  • Z Formula Units: 4
  • Density: ρ = 4.79 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_1641361

  • 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