Inorganic Solid Phases

[Gd4(OH)4(CF3COO)8(H2O)4]·2.5H2O (Gd8[CF3CO2]16[OH]8[H2O]13) Crystal Structure

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General Information

  • Phase Label(s): Gd8[CF3CO2]16[OH]8[H2O]13
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: mS564
  • Space Group: 15
  • Phase Prototype: Gd8[CF3CO2]16[OH]8[H2O]13
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; STOE (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): trifluoro-acetate, hydroxide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 8843 reflections; I > 2σ(I), R = 0.0512; wR = 0.1283
  • Sample Detail(s): sample prepared from Gd2O3, trifluoroacetic acid, chemical analysis; 11.6 wt.% C, 0.9 wt.% H, single crystal (determination of cell parameters), single crystal, 0.15×0.29×0.30 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Gd8[CF3CO2]16[OH]8[H2O]13
  • Alphabetic Formula: [CF3CO2]16Gd8[H2O]13[OH]8
  • Published Formula: [Gd4(OH)4(CF3COO)8(H2O)4]·2.5H2O
  • Refined Formula: C32F48Gd8H34O53
  • Wyckoff Sequence: 15,f70e
  • Z Formula Units: 4
  • Density: ρ = 2.55 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1623524

  • 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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