Inorganic Solid Phases

Eu2−xYx(Mel)(H2O)6, x= 0.86, Mel= mellitic acid (Y0.74Eu1.26[C6C6O12][H2O]6, T = 150(2) K) Crystal Structure

General Information

  • Phase Label(s): Y0.74Eu1.26[C6C6O12][H2O]6
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: oP64
  • Space Group: 58
  • Phase Prototype: (Y0.19Eu0.81)2[C6C6O12][H2O]6
  • Measurement Detail(s): automatic diffractometer; 3240 (determination of cell parameters), automatic diffractometer; Bruker AXS KAPPA APEX II (determination of structural parameters), X-rays, Mo Kα; λ = 0.07107 nm (determination of cell and structural parameters), T = 150(2) K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): mellitate, hydrate
  • Interpretation Detail(s): complete structure determined; composition dependence studied, full-matrix least-squares refinement; 97 variables; 1318 reflections; I > 2σ(I), R = 0.0195; wR = 0.0381
  • Sample Detail(s): sample prepared from mellitic acid, Eu[NO3]3[H2O]6, Y[NO3]3[H2O]6, energy-dispersive X-ray analysis; composition confirmed, single crystal (determination of cell parameters), single crystal, 0.08×0.10×0.14 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Y0.86Eu1.14[C6C6O12][H2O]6
  • Alphabetic Formula: [C6C6O12]Eu1.14[H2O]6Y0.86
  • Published Formula: Eu2−xYx(Mel)(H2O)6, x= 0.86, Mel= mellitic acid
  • Refined Formula: C12Eu1.15H12O18Y0.85
  • Wyckoff Sequence: 58,h5g6
  • Z Formula Units: 2
  • Density: ρ = 2.58 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_1933987

  • 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