Inorganic Solid Phases

K11[Sm{Co2PW10O38(H2O)2}2]·20H2O (K11SmW20Co4[PO4]2O68[H2O]24, T = 150(2) K) Crystal Structure

General Information

  • Phase Label(s): K11SmW20Co4[PO4]2O68[H2O]24
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: oI548
  • Space Group: 45
  • Phase Prototype: K11SmW20Co4[PO4]2O68[H2O]24
  • Measurement Detail(s): automatic diffractometer; 17461 (determination of cell parameters), automatic diffractometer; Oxford Diffraction Xcalibur (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 150(2) K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthophosphate, oxide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 367 variables; 10966 reflections; I > 2σ(I), R = 0.0405; wR = 0.0876
  • Sample Detail(s): sample prepared from Sm[NO3]3[H2O]6, KCl, Co[NO3]2[H2O]6, K14(P2W19O69[H2O])[H2O]24, elemental analysis, thermogravimetry; 2.08 wt.% Sm, 3.53 wt.% Co, 60.24 wt.% W, 1.14 wt.% P, 6.80 wt.% K; 6.70 wt.% H2O, single crystal (determination of cell parameters), single crystal, 0.04×0.07×0.12 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K11SmW20Co4[PO4]2O68[H2O]24
  • Alphabetic Formula: [H2O]24Co4[PO4]2K11O68SmW20
  • Published Formula: K11[Sm{Co2PW10O38(H2O)2}2]·20H2O
  • Refined Formula: Co4H36K11.40O94P2SmW20
  • Wyckoff Sequence: 45,c68a
  • Z Formula Units: 4
  • Density: ρ = 4.11 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_1644679

  • 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